SCHEMBL19782986

SCHEMBL19782986

CNc1ccc(N(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
TRPV1 Q8NER1 1/20 0.41
MAP3K11 Q16584 1/20 0.38
APP P05067 3/20 0.38
KCNH2 Q12809 2/20 0.38
CSF1R P07333 1/20 0.38
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37
TDO2 P48775 1/20 0.36
RRM2 P31350 1/20 0.36
EGFR P00533 2/20 0.35
NUDT1 P36639 1/20 0.33
NAMPT P43490 2/20 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
Hydrochloric Acid SCHEMBL5710515 0.98 KDM1A (0.49) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL29636503 0.84 KDM1A (0.60) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL14234051 0.84 KDM1A (0.60) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL12789566 0.81 KDM1A (0.49) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL27833127 0.78 GBA1 (0.56) TRPV1RRM2
SCHEMBL13002821 0.77 ALDH1A1 (0.38) KDM1ATRPV1PIK3CAMTORRRM2
SCHEMBL14234048 0.76 KDM1A (0.53) KDM1AAPPEGFR
Hydrochloric Acid SCHEMBL5710510 0.76 KDM1A (0.45) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL14234303 0.76 KDM1A (0.65) KDM1A
SCHEMBL29636433 0.76 KDM1A (0.53) KDM1AAPPEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738961-B1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2022-08-31 EP disclosed
US-11384065-B2 Heterocyclic compound as CSF-1R inhibitor and use thereof MEDSHINE DISCOVERY INC. (CN) 2022-07-12 US disclosed
US-20210107894-A1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-04-15 US disclosed
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed
EP-3738961-A1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF Medshine Discovery Inc. (CN) 2020-11-18 EP disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 WO disclosed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN disclosed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN 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 (2 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-11384065-B2 Heterocyclic compound as CSF-1R inhibitor and use thereof CSF1R, CSF3R, IL1RN KDM1A 2477/4885TRPV1 2529/4885MAP3K11 996/4885
US-20210107894-A1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF CSF1R, CSF3R, IL1RN KDM1A 2477/4885TRPV1 2529/4885MAP3K11 996/4885

“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.