SCHEMBL9697101

SCHEMBL9697101

C1=C(c2c[nH]c3cccnc23)CCNC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 4/20 0.61
HTR2C P28335 4/20 0.61
MAPT P10636 3/20 0.61
DRD2 P14416 1/20 0.61
ALOX15 P16050 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP2C9 P11712 2/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
HTR1D P28221 2/20 0.52
CYP2D6 P10635 1/20 0.52
HTR6 P50406 3/20 0.50
MAPK1 P28482 1/20 0.49
BRCA1 P38398 1/20 0.49
JAK2 O60674 1/20 0.43

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
SCHEMBL30870501 0.81 HTR2C (0.55) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL9696693 0.79 KDM4E (0.63) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL9696192 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL7104015 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL9697121 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL25244381 0.77 HTR2A (0.56) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL1848853 0.77 HTR2C (0.61) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL3209524 0.76 FLT3 (0.40) KDM4EALDH1A1HSD17B10HTR2CMAPT
SCHEMBL23536642 0.76 PIM1 (0.42) KDM4EALDH1A1HSD17B10MAPTMEN1
SCHEMBL653742 0.76 KDM4E (1.00) KDM4EALDH1A1HSD17B10HTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169947-A 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1992-12-08 US claimed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 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 (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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 KDM4E 1882/4885ALDH1A1 2051/4885HSD17B10 2968/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 KDM4E 1732/4885ALDH1A1 1908/4885HSD17B10 2765/4885

“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.