SCHEMBL1735955

SCHEMBL1735955

COCCn1c(C)c(C)c2ccnc(N3CCc4ccccc4C3C3CC3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.35
CXCR4 P61073 2/20 0.33
CYP2D6 P10635 5/20 0.33
KCNH2 Q12809 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
PRCP P42785 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL1736715 0.99 NTRK1 (0.34) NTRK1CXCR4CYP2D6KCNH2CYP1A2
SCHEMBL1737645 0.88 NTRK1 (0.34) NTRK1CXCR4MEN1KMT2ANPC1
SCHEMBL1737465 0.88 CYP2D6 (0.35) NTRK1CYP2D6KCNH2CYP1A2CYP2C9
SCHEMBL1737520 0.87 NTRK1 (0.34) NTRK1CXCR4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1738373 0.87 NTRK1 (0.34) NTRK1CXCR4MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1736677 0.87 CYP2D6 (0.35) NTRK1CYP2D6KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL1737217 0.86 NTRK1 (0.34) NTRK1CXCR4CYP2D6CYP1A2CYP2C9
SCHEMBL1739476 0.84 PRCP (0.44) CYP2D6KCNH2MEN1KMT2APRCP
SCHEMBL1739794 0.84 SIGMAR1 (0.41) CYP2D6KCNH2
Hydrochloric Acid SCHEMBL1737450 0.84 PRCP (0.44) CYP2D6KCNH2MEN1KMT2APRCP

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 NTRK1 4124/4885CXCR4 3857/4885CYP2D6 155/4885

“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.