SCHEMBL3864384

SCHEMBL3864384

Cc1cc(C)c(Nc2nc(Cl)nc3sccc23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 12/20 0.38
FADS1 O60427 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
SCHEMBL29648815 0.80 MEN1 (0.47) FADS1
SCHEMBL3867946 0.78 ADORA2A (0.40) RAPGEF4
SCHEMBL9432141 0.78 CSNK2A1 (0.51)
SCHEMBL11203602 0.76 PDE2A (0.42) FADS1
SCHEMBL22054231 0.75 PLK4 (0.60)
SCHEMBL10267879 0.74 CYP2C9 (0.41) RAPGEF4
SCHEMBL9432534 0.74 PDE4B (0.49) FADS1
SCHEMBL3859368 0.72 KMT2A (0.45)
SCHEMBL1183246 0.71 RAPGEF4 (0.47) RAPGEF4
SCHEMBL11312951 0.70 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324223-B2 Substituted thieno [2,3-d] pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324223-B2 Substituted thieno [2,3-d] pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324223-B2 Substituted thieno [2,3-d] pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US disclosed
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US disclosed
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US disclosed
US-8211898-B2 Substituted thieno[3,2-d]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-07-03 US disclosed
US-8211898-B2 Substituted thieno[3,2-d]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-07-03 US disclosed
US-8211898-B2 Substituted thieno[3,2-d]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-07-03 US disclosed
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES (US) 2009-11-12 US disclosed
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES (US) 2009-11-12 US disclosed
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES (US) 2009-11-12 US disclosed
US-7595324-B2 Substituted thieno[3,2-D]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2009-09-29 US disclosed
US-7595324-B2 Substituted thieno[3,2-D]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2009-09-29 US disclosed
US-7595324-B2 Substituted thieno[3,2-D]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2009-09-29 US disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
WO-2008058285-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-05-15 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 (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-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 RAPGEF4 4883/4885FADS1 460/4885
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors TYMS, DUT, TYMP RAPGEF4 4883/4885FADS1 456/4885
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 RAPGEF4 4883/4885FADS1 460/4885

“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.