SCHEMBL10271446

SCHEMBL10271446

CCOc1cc(-n2cccn2)nc2cc(OC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSG P08311 1/20 0.38
KLK7 P49862 1/20 0.38
KLK14 Q9P0G3 1/20 0.38
KLK5 Q9Y337 1/20 0.38
NLRP3 Q96P20 2/20 0.37
MAPT P10636 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
SCHEMBL8133581 0.89 KDM4E (0.51) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL10271289 0.84 KDM4E (0.38) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL10220200 0.84 KDM4E (0.41) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL3374484 0.82 NPC1 (0.41) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL743993 0.81 CYP1A2 (0.44) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL745082 0.81 CYP1A2 (0.43) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL12468515 0.80 CYP2D6 (0.41) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL10271291 0.79 CTSG (0.38) CYP1A2CYP2C19KDM4EHPGDSYK
SCHEMBL15849614 0.78 CYP1A2 (0.39) CYP1A2CYP2C19KDM4EHPGDNPSR1
SCHEMBL15483484 0.77 KDM4E (0.39) CYP1A2CYP2C19KDM4EHPGDNPSR1

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
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (3 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-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 CYP1A2 678/4885CYP2C19 1341/4885KDM4E 2399/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2C19 3298/4885KDM4E 2496/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2C19 3298/4885KDM4E 2496/4885

“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.