SCHEMBL1737600

SCHEMBL1737600

COc1ccc2c(c1)C(C)N(c1nccc3c(C)c(C)[nH]c13)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.43
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 2/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNB2 O95067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDK1 P06493 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CCNB1 P14635 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CCNA2 P20248 1/20 0.36

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 SCHEMBL1737011 0.99 DYRK1A (0.42) DYRK1AHTR2CHTR2AHTR2BCHRNA7
SCHEMBL1737475 0.86 HTR2A (0.35) DYRK1AHTR2CHTR2AKDM4ECCNT1
SCHEMBL1738210 0.86 HTR2B (0.35) DYRK1AHTR2CHTR2AHTR2BKDM4E
Hydrochloric Acid SCHEMBL1736939 0.85 HTR2B (0.34) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736669 0.85 HTR2A (0.34) HTR2CHTR2AKDM4ECCNT1CCNB2
SCHEMBL1735608 0.83 MAPT (0.37) DYRK1AHTR2CHTR2AHTR2BKDM4E
Hydrochloric Acid SCHEMBL1736651 0.82 KDM4E (0.36) DYRK1AHTR2CHTR2AHTR2BKDM4E
SCHEMBL1736981 0.82 KDM4E (0.36) DYRK1AHTR2CHTR2AHTR2BKDM4E
SCHEMBL1736979 0.82 MAPT (0.36) DYRK1AHTR2CHTR2AHTR2BKDM4E
SCHEMBL1737805 0.80 CCNB2 (0.34) DYRK1AKDM4ECCNT1CCNB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H DYRK1A 705/4885HTR2C 599/4885HTR2A 1492/4885

“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.