SCHEMBL3549550

SCHEMBL3549550

O=Cc1csc(-c2ccncc2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HTR2B P41595 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 5/20 0.49
CYP19A1 P11511 4/20 0.49
AR P10275 2/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.42
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41

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
SCHEMBL724025 0.85 MAPT (0.63) MAPTHTR2BALDH1A1KDM4ECYP19A1
Bromide SCHEMBL8881037 0.83 MAPT (0.61) MAPTHTR2BALDH1A1KDM4ECYP19A1
SCHEMBL4539676 0.81 MAPT (0.69) MAPTHTR2BALDH1A1KDM4EKMT2A
SCHEMBL21357610 0.81 MAPT (0.64) MAPTHTR2BALDH1A1KDM4ECYP19A1
SCHEMBL6211632 0.81 MAPT (0.64) MAPTHTR2BALDH1A1KDM4ECYP19A1
SCHEMBL2225761 0.81 MAPT (0.64) MAPTHTR2BALDH1A1KDM4ECYP19A1
SCHEMBL10068466 0.81 MAPT (0.64) MAPTHTR2BALDH1A1KDM4ECYP19A1
SCHEMBL2089805 0.81 MAPT (0.59) MAPTHTR2BALDH1A1KDM4EKMT2A
SCHEMBL2439363 0.81 CYP19A1 (0.66) MAPTALDH1A1KDM4ECYP19A1KMT2A
SCHEMBL18002826 0.78 MAPT (0.59) MAPTHTR2BALDH1A1KDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
EP-1697348-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2005061487-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-07-07 WO disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 CN 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MAPT 2176/4885HTR2B 3973/4885ALDH1A1 2920/4885

“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.