Sugi Predict

Sugi Predict / Compounds / SCHEMBL3867946

SCHEMBL3867946

SCHEMBL3867946

Cc1cc(C)c(Nc2nc(Cl)nc3ccsc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ RAPGEF4 Q8WZA2 9/20 0.38
▸ HTT P42858 1/20 0.38
▸ CCND3 P30281 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 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
SCHEMBL3864384 0.78 RAPGEF4 (0.38) RAPGEF4
SCHEMBL4511831 0.76 PAK1 (0.40) ADORA2AADORA1TGFBR1HTTTUBB4A
SCHEMBL24174509 0.76 HTT (0.61) ADORA2AADORA1HTTTUBB4ATUBB
SCHEMBL30748848 0.76 HTT (0.61) ADORA2AADORA1HTTTUBB4ATUBB
SCHEMBL14606095 0.75 PAK1 (0.60) HTTLCK
SCHEMBL30147226 0.75 PAK1 (0.60) HTTLCK
SCHEMBL1183246 0.74 RAPGEF4 (0.47) RAPGEF4
SCHEMBL3859466 0.74 PRKCI (0.42) ADORA1
SCHEMBL1284289 0.74 PDE4B (0.58) ADORA2AADORA1TGFBR1PDE4APDE4B
SCHEMBL14203642 0.72 TUBB4A (0.57) ADORA2AADORA1TUBB4ATUBBTUBA3C

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 18 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

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 ADORA2A 2297/4885ADORA1 1654/4885TGFBR1 3540/4885
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors TYMS, DUT, TYMP ADORA2A 1554/4885ADORA1 1301/4885TGFBR1 4079/4885
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 ADORA2A 2297/4885ADORA1 1654/4885TGFBR1 3540/4885

“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.