SCHEMBL3287615

SCHEMBL3287615

Cc1ccc(Oc2ncccc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 4/20 0.41
P2RX3 P56373 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIN1 Q13526 1/20 0.38
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
GCK P35557 1/20 0.38
DRD1 P21728 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL169682 0.84 KMT2A (0.55) ALDH1A1P2RX3MAPTMEN1KMT2A
SCHEMBL3536304 0.84 CYP19A1 (0.41) CYP19A1ALDH1A1P2RX3SMN1; SMN2ALOX5AP
SCHEMBL7432141 0.81 POLB (0.57) ALDH1A1P2RX3MAPTMEN1KMT2A
SCHEMBL3287938 0.81 ALDH1A1 (0.62) CYP19A1ALDH1A1SMN1; SMN2FEN1MEN1
SCHEMBL3293477 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
Methyl Alcohol SCHEMBL11374946 0.78 MEN1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29719546 0.78 KMT2A (0.56) ALDH1A1SMN1; SMN2ALOX5APFEN1MAPT
SCHEMBL3294014 0.76 SLC22A12 (0.45) ALDH1A1SMN1; SMN2ALOX5APFEN1GCK
SCHEMBL9038839 0.75 RAB9A (0.59) CYP19A1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL10955865 0.75 KDM4E (0.53) CYP19A1ALDH1A1P2RX3MEN1KMT2A

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-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CYP19A1 2498/4885ALDH1A1 3041/4885P2RX3 4/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CYP19A1 2498/4885ALDH1A1 3041/4885P2RX3 4/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CYP19A1 2498/4885ALDH1A1 3041/4885P2RX3 4/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CYP19A1 2491/4885ALDH1A1 3045/4885P2RX3 3/4885

“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.