SCHEMBL24915275

SCHEMBL24915275

[N-]=[N+]=NCc1ccn(CC2CCCO2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ GLA P06280 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24915274 0.80 KDM4E (0.42) CYP2C19KDM4ECYP2C9TSHRCYP1A2
SCHEMBL24914911 0.80 HTR2C (0.40) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL25786495 0.75 KDM4C (0.39) MEN1KMT2AHTR2CSLC6A4
SCHEMBL24915552 0.70 ALDH1A1 (0.38) CYP2C19KDM4ECYP2C9CYP1A2ALDH1A1
SCHEMBL25859573 0.69 KDM4E (0.40) CYP2C19KDM4ECYP2C9TSHRCYP1A2
SCHEMBL25617367 0.69 KDM4E (0.40) CYP2C19KDM4ECYP2C9TSHRCYP1A2
SCHEMBL10174367 0.69 BRD4 (0.41) CYP2C19KDM4ECYP2C9TSHRCYP1A2
SCHEMBL24915357 0.69 SIGMAR1 (0.36) KDM4EALDH1A1HTR2CSLC6A4
SCHEMBL24915156 0.68 KDM4E (0.36) KDM4EALDH1A1HTR2CSLC6A4MAPT
SCHEMBL24915301 0.68 KDM4E (0.36) KDM4EALDH1A1HTR2CSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 — — EP 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 (1 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 CYP2C19 120/4885KDM4E 3858/4885CYP2C9 245/4885

“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.

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