SCHEMBL392017

SCHEMBL392017

Cc1nc(N)nc(Cl)c1I

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.42
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
NUDT1 P36639 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
DPP4 P27487 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL22553629 0.82 DPP4 (0.37) LMNAADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL13304569 0.82 TLR8 (0.48) TLR8KDM4EALDH1A1LMNAHSP90AB1
SCHEMBL1357635 0.75 DPP4 (0.33) ADORA2AADORA1DPP4
SCHEMBL9178364 0.75 KDM4E (0.40) TLR8KDM4ENPSR1ALDH1A1LMNA
SCHEMBL4289488 0.75 TDP1 (0.31)
SCHEMBL559332 0.75 KDM4E (0.40) TLR8KDM4ENPSR1ALDH1A1LMNA
SCHEMBL20421684 0.75 TLR8 (0.44) TLR8KDM4ENPSR1ALDH1A1LMNA
SCHEMBL10043017 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3691752 0.75 TLR8 (0.44) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL19313320 0.75 TLR8 (0.44) TLR8KDM4EALDH1A1LMNAHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
US-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds ELI LILLY AND COMPANY (US) 2023-10-03 US disclosed
US-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds ELI LILLY AND COMPANY (US) 2023-10-03 US disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
EP-3527572-B1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF SHENZHEN BO LI JIAN MEDICINE CO LTD (CN) 2021-12-22 EP disclosed
EP-3527572-B1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF SHENZHEN BO LI JIAN MEDICINE CO LTD (CN) 2021-12-22 EP disclosed
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed
EP-2222648-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS AstraZeneca AB (SE) 2010-09-01 EP disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR EXELIXIS, INC. (US) 2010-04-08 US disclosed
WO-2010039740-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα AND MTOR EXELIXIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039740-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα AND MTOR EXELIXIS, INC. (US) 2010-04-08 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
WO-2009067081-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2009-05-28 WO 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 (4 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-11773067-B2 (Trifluoromethyl)pyrimidine-2-amine compounds P2RX1, P2RX2, P2RY1 TLR8 2007/4885KDM4E 1718/4885NPSR1 51/4885
US-20100087456-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K-ALPHA and mTOR PIK3CD, PIK3CA, MTOR TLR8 3987/4885KDM4E 1759/4885NPSR1 4136/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 TLR8 4435/4885KDM4E 2004/4885NPSR1 78/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS TLR8 4495/4885KDM4E 3110/4885NPSR1 4838/4885

“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.