SCHEMBL183057

SCHEMBL183057

Clc1nc(Cl)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 9/20 0.68
CNR2 P34972 1/20 0.56
CDK1 P06493 1/20 0.53
PNP P00491 1/20 0.53
ADORA2A P29274 1/20 0.52
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30898278 1.00 YTHDC1 (0.68) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL5465713 0.88 P2RX7 (0.56) YTHDC1ADORA2AHDAC1HDAC2HDAC8
SCHEMBL30898205 0.87 YTHDC1 (0.72) YTHDC1CNR2ADORA2AP2RX7
SCHEMBL5451873 0.87 YTHDC1 (0.72) YTHDC1CNR2ADORA2AP2RX7
SCHEMBL5161967 0.87 ADORA2A (0.53) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL12537206 0.86 YTHDC1 (0.53) YTHDC1CNR2HDAC1HDAC2HDAC8
SCHEMBL22345236 0.85 YTHDC1 (0.56) YTHDC1HDAC1HDAC2HDAC8P2RX7
SCHEMBL6272417 0.85 ALDH1A1 (0.66) PNPADORA2API4KAPI4K2BPI4K2A
SCHEMBL2060472 0.85 PDE4A (0.67) YTHDC1CNR2CDK1PNPADORA2A
SCHEMBL12786350 0.85 YTHDC1 (0.69) YTHDC1CNR2CDK1PNPADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319694-B2 Heterocyclic nitrogen-containing purine derivatives, pharmaceutical preparations containing these derivatives and their use in neuroprotection UNIVERZITA PALACKEHO (CZ) 2025-06-03 US disclosed
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
EP-3924353-B1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIV PALACKEHO (CZ) 2024-04-24 EP disclosed
US-20230399302-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-SUBSTITUTED SULFUR(VI) COMPOUNDS NATIONAL INSTITUTES OF HEALTH 2023-12-14 US disclosed
US-20230399302-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-SUBSTITUTED SULFUR(VI) COMPOUNDS NATIONAL INSTITUTES OF HEALTH 2023-12-14 US disclosed
US-20220127269-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIVERZITA PALACKEHO (CZ) 2022-04-28 US disclosed
EP-3924353-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION Univerzita Palackého (CZ) 2021-12-22 EP disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 WO disclosed
WO-2020164648-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION UNIVERZITA PALACKEHO (CZ) 2020-08-20 WO disclosed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
US-7255835-B2 Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-14 US disclosed
US-20060264448-A1 Purine derivatives PFIZER LIMITED 2006-11-23 US disclosed
WO-2006122003-A2 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2006-11-16 WO disclosed
WO-2006117670-A1 2-AMIDO-6-AMINO-8-OXOPURINE DERIVATIVES AS TOLL-LIKE RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS, SUCH AS HEPATITIS C PFIZER LIMITED (GB) 2006-11-09 WO disclosed
US-20060234974-A1 2,6-Dihalogeno-8-substituent-purine compound and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-19 US disclosed
EP-1595882-A1 2,6-DIHALOGENO-8-SUBSTITUENT-PURINE COMPOUND AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2005-11-16 EP disclosed
US-5583137-A Heterocyclic compounds for enhancing antitumor activity PFIZER INC. (US) 1996-12-10 US disclosed
EP-0626964-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-12-07 EP disclosed
WO-1993017021-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER, INC. (US) 1993-09-02 WO disclosed
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220127269-A1 HETEROCYCLIC NITROGEN-CONTAINING PURINE DERIVATIVES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN NEUROPROTECTION NME4, NLN, PNP YTHDC1 2241/4885CNR2 453/4885CDK1 528/4885
US-20230399302-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-SUBSTITUTED SULFUR(VI) COMPOUNDS TST, TYR, STS YTHDC1 2401/4885CNR2 3498/4885CDK1 375/4885
US-20060264448-A1 Purine derivatives TLR9, TLR7, TLR1 YTHDC1 1433/4885CNR2 186/4885CDK1 1085/4885
US-20060234974-A1 2,6-Dihalogeno-8-substituent-purine compound and process for producing the same HPRT1, TPMT, NUDT1 YTHDC1 250/4885CNR2 1210/4885CDK1 1180/4885
US-12319694-B2 Heterocyclic nitrogen-containing purine derivatives, pharmaceutical preparations containing these derivatives and their use in neuroprotection NME4, NLN, PNP YTHDC1 2241/4885CNR2 453/4885CDK1 528/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.