Sugi Predict

Sugi Predict / Compounds / SCHEMBL691634

SCHEMBL691634

SCHEMBL691634

C=CS(=O)(=O)Nc1cccc(Nc2cc(Nc3cccc(C)c3)ncn2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 12/20 0.59
▸ EGFR P00533 9/20 0.59
▸ SRC P12931 1/20 0.53
▸ LRRK2 Q5S007 1/20 0.53
▸ CCNT1 O60563 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ ABL2 P42684 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ MNAT1 P51948 1/20 0.44
▸ ITK Q08881 1/20 0.44

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
SCHEMBL10192119 0.84 HPGD (0.50) SRCLRRK2
SCHEMBL12431497 0.82 THRB (0.57) TNNI3KEGFRSRCLRRK2
SCHEMBL18169574 0.81 SRC (0.49) TNNI3KEGFRSRCLRRK2
SCHEMBL1387302 0.81 EGFR (0.72) TNNI3KEGFRABL2
SCHEMBL2203654 0.80 EGFR (0.47) TNNI3KEGFRSRCLRRK2
SCHEMBL28056976 0.79 TNNI3K (0.58) TNNI3KEGFRLRRK2CCNT1MAP4K4
SCHEMBL14772971 0.78 EGFR (0.45) TNNI3KEGFRSRCLRRK2
SCHEMBL690075 0.78 EGFR (0.74) TNNI3KEGFRSRCITK
SCHEMBL18177583 0.75 EGFR (0.55) EGFRSRCLRRK2CCNT1CDK9
SCHEMBL8798563 0.75 EGFR (0.66) TNNI3KEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 — — US disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 — — US disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 — — US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-9393246-B2 4,6-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-9393246-B2 4,6-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-9393246-B2 4,6-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 — — US disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 — — WO disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 — — WO disclosed
EP-2214486-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-08-11 — — EP disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — US disclosed
WO-2009051822-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-04-23 — — 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 (4 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TNNI3K 3700/4885EGFR 1981/4885SRC 526/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TNNI3K 3700/4885EGFR 1981/4885SRC 526/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TNNI3K 3700/4885EGFR 1981/4885SRC 526/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TNNI3K 3700/4885EGFR 1981/4885SRC 526/4885

“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.