Sugi Predict

Sugi Predict / Compounds / SCHEMBL3754625

SCHEMBL3754625

SCHEMBL3754625

CS(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(-n4nncc4-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.64
▸ PTGS2 P35354 6/20 0.64
▸ IKBKB O14920 6/20 0.55
▸ CHUK O15111 2/20 0.53
▸ MAPK8 P45983 3/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ CDK2 P24941 2/20 0.50
▸ CCNT1 O60563 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ CSNK1D P48730 1/20 0.50
▸ GSK3A P49840 1/20 0.50

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
SCHEMBL3753567 0.81 IKBKB (0.68) PTGS2IKBKBCHUKMAPK8MAPK10
SCHEMBL3753792 0.81 PTGS2 (0.67) PTGS1PTGS2IKBKBCHUKMAPK8
SCHEMBL3754227 0.79 JAK2 (0.64) PTGS2IKBKBCHUKMAPK8MAPK10
SCHEMBL3754658 0.78 MAPK8 (0.81) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3754319 0.77 MAPK8 (0.71) IKBKBCHUKMAPK8MAPK10JAK2
SCHEMBL13440366 0.75 PIK3CA (0.66) PTGS2IKBKBCHUKMAPK8MAPK10
SCHEMBL15161520 0.75 CDK2 (0.53) PTGS2IKBKBCHUKMAPK8CDK2
SCHEMBL4375237 0.74 JAK2 (0.81) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3754297 0.74 MAPK8 (0.64) IKBKBCHUKMAPK8MAPK10JAK2
SCHEMBL3519764 0.73 IKBKB (0.97) IKBKBCHUKMAPK8MAPK10GSK3B

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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 — — US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 — — US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 — — US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 — — US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 — — US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 — — US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 — — EP disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 — — EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 — — US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 — — US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 — — US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 — — US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 — — US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 — — US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 — — US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 — — EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — WO disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS1 2446/4885PTGS2 2528/4885IKBKB 288/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS1 2446/4885PTGS2 2528/4885IKBKB 288/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS1 2446/4885PTGS2 2528/4885IKBKB 288/4885

“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.