SCHEMBL3586415

SCHEMBL3586415

Cc1[nH]c2c(Oc3ccc(F)cc3)ccnc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN4A P35499 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRAF P15056 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDGFRA P16234 2/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
MAPK14 Q16539 1/20 0.34
CCNC P24863 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
SCHEMBL3591662 0.81 KMT2A (0.48) SMN1; SMN2KDM4EMAPTMAPK14SLC6A2
SCHEMBL5811394 0.74 TRPA1 (0.49) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3591925 0.74 ACHE (0.36) CYP3A4CYP2D6SMN1; SMN2KDRKDM4E
Hydrochloric Acid SCHEMBL5806027 0.73 TRPA1 (0.48) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9749287 0.71 PDGFRA (0.41) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7470310 0.68 MAOA (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3583639 0.67 MAPT (0.38) SMN1; SMN2KDM4EMAPTBRD4
SCHEMBL9598026 0.67 MEN1 (0.43) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3589577 0.67 SYK (0.46) KDM4EMAPTBRD4
SCHEMBL1736493 0.67 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 WO 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX TRPA1 1388/4885CYP1A2 260/4885CYP3A4 43/4885

“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.