SCHEMBL6696955

SCHEMBL6696955

Cc1ccc(C)n1-c1cccc(-c2ccc(Br)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.42
NPC1 O15118 9/20 0.42
KDM4E B2RXH2 8/20 0.41
LMNA P02545 2/20 0.41
APP P05067 1/20 0.41
PAX8 Q06710 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 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
SCHEMBL2969912 0.84 RAB9A (0.54) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL9848050 0.81 MAPT (0.47) RAB9ANPC1KDM4ELMNAAPP
SCHEMBL6618761 0.80 KDM4E (0.38) RAB9AKDM4ELMNAMAPTALDH1A1
SCHEMBL6701320 0.78 KDM4E (0.37) RAB9AKDM4ELMNAMAPTALDH1A1
SCHEMBL6621303 0.78 KDM4E (0.50) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL6618202 0.77 IRAK4 (0.40) KDM4ELMNAMAPTALDH1A1
SCHEMBL6700787 0.77 CYP2A6 (0.53) APPALDH1A1
SCHEMBL6618175 0.77 NOS1 (0.36) RAB9ANPC1KDM4ELMNAMAPT
SCHEMBL6620337 0.76 IRAK4 (0.41) KDM4ELMNAMAPTALDH1A1
SCHEMBL18586993 0.75 MAPT (0.45) RAB9ANPC1KDM4ELMNAMAPT

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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 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 (4 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RAB9A 3379/4885NPC1 1374/4885KDM4E 1439/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RAB9A 3379/4885NPC1 1374/4885KDM4E 1439/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 RAB9A 2385/4885NPC1 1438/4885KDM4E 939/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 RAB9A 3379/4885NPC1 1374/4885KDM4E 1439/4885

“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.