SCHEMBL2736671

SCHEMBL2736671

Cc1ccc2[nH]cc(N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
HTR1D P28221 2/20 0.56
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
NR4A2 P43354 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
SLC6A4 P31645 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14454516 0.83 HTR2A (0.56) HTR2AHTR1DRAB9AKDM4EHSD17B10
SCHEMBL25553512 0.81 MAPT (0.48) HTR2AHTR1DTDP1ALDH1A1SMN1; SMN2
SCHEMBL8628537 0.78 HPGD (0.49) HTR2AHTR1DTUBB4ATUBBTUBA3C
SCHEMBL12376 0.78 ATM (0.56) HTR2AHTR1DRAB9AKDM4EHSD17B10
SCHEMBL29777537 0.78 ATM (0.56) HTR2AHTR1DRAB9AKDM4EHSD17B10
SCHEMBL25978378 0.77 HTR2A (0.41) HTR2AHTR1DRAB9ALMNANR4A2
Ammonia Solution, Strong SCHEMBL23704299 0.77 ATM (0.54) HTR2AHTR1DRAB9AKDM4EHSD17B10
SCHEMBL3629976 0.76 HTR2B (0.65) HTR2AHTR1DRAB9AKDM4EHSD17B10
SCHEMBL25554609 0.76 MAPT (0.44) HTR2AHTR1DRAB9AKDM4ELMNA
SCHEMBL4373459 0.75 RAB9A (0.53) HTR2AHTR1DRAB9AKDM4EHSD17B10

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-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
WO-2017163263-A1 INDOLE DERIVATIVES, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed
US-7446210-B2 Factor Xa compounds JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
US-7446210-B2 Factor Xa compounds JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
WO-2006047415-A2 FACTOR XA COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 (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-20170305906-A1 Pro-Neurogenic Compounds BDNF, NES, DCX HTR2A 792/4885HTR1D 879/4885RAB9A 174/4885

“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.