Sugi Predict

Sugi Predict / Compounds / SCHEMBL3859514

SCHEMBL3859514

SCHEMBL3859514

Cc1cc(C#N)cc(C)c1Oc1nc(Cl)nc2ccsc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.49
▸ CYP2C9 P11712 7/20 0.44
▸ CYP2C19 P33261 7/20 0.44
▸ CYP3A4 P08684 5/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39

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
SCHEMBL3862591 0.86 TUBB4A (0.42) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL28419354 0.83 CYP2C9 (0.61) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL28411694 0.81 CYP2C9 (0.42) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3860404 0.81 KCNH2 (0.48) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3862575 0.80 CYP2C9 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL21462098 0.78 KCNH2 (0.37) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL28911406 0.78 CYP1A2 (0.41) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1715576 0.76 CRHR1 (0.39) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3869447 0.74 CYP2C9 (0.59) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3813480 0.74 KCNH2 (0.44) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440559-B Diaryl thienopyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-06-16 — — CN 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-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-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
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 KCNH2 3869/4885CYP2C9 556/4885CYP2C19 720/4885
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors TYMS, DUT, TYMP KCNH2 3940/4885CYP2C9 512/4885CYP2C19 459/4885
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 KCNH2 3869/4885CYP2C9 556/4885CYP2C19 720/4885

“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.