Sugi Predict

Sugi Predict / Compounds / SCHEMBL2203608

SCHEMBL2203608

SCHEMBL2203608

Clc1cc(Nc2cc(C3CC3)n[nH]2)nc(Sc2ccc3ccccc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AURKA O14965 7/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ AURKB Q96GD4 3/20 0.38
▸ PTGES O14684 5/20 0.35
▸ ALOX5 P09917 5/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ SRC P12931 2/20 0.35
▸ PPARG P37231 2/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ IGF1R P08069 2/20 0.34
▸ HAO1 Q9UJM8 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL2205512 0.88 AURKA (0.43) LMNASMN1; SMN2AURKAAURKBGSK3B
SCHEMBL2201374 0.88 AURKB (0.44) LMNASMN1; SMN2AURKAAURKBGSK3B
SCHEMBL2204258 0.85 AURKA (0.38) LMNASMN1; SMN2AURKAAURKBGSK3B
SCHEMBL2203684 0.82 AURKA (0.57) AURKAAURKBSRCNTRK1IGF1R
SCHEMBL2203213 0.82 AURKA (0.45) AURKAAURKBSRCNTRK1IGF1R
SCHEMBL2202837 0.79 AURKA (0.59) AURKAAURKBGSK3BSRC
SCHEMBL2205007 0.79 AURKA (0.45) LMNASMN1; SMN2AURKAAURKBGSK3B
SCHEMBL2203245 0.77 IGF1R (0.40) LMNAAURKAAURKBGSK3BSRC
SCHEMBL2203690 0.76 AURKA (0.42) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL2205494 0.75 PIK3C3 (0.35) KMT2AIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702920-B1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2011-10-12 — — EP disclosed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 — — US disclosed
EP-2264028-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-22 — — EP disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 — — US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 — — US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 — — US disclosed
EP-1353916-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-09-20 — — EP disclosed
EP-1702920-A1 Pyrazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2006-09-20 — — EP disclosed
US-7087603-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-08-08 — — US disclosed
US-6989385-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-24 — — US disclosed
EP-1345922-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-09-24 — — EP disclosed
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-06-05 — — US disclosed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 — — US disclosed
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US disclosed
WO-2002066461-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-29 — — WO disclosed
WO-2002062789-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-15 — — WO disclosed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 — — WO disclosed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — 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 (6 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-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP LMNA 2121/4885SMN1; SMN2 4761/4885AURKA 2/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA LMNA 3350/4885SMN1; SMN2 4000/4885AURKA 3/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 2132/4885SMN1; SMN2 3765/4885AURKA 2/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 2793/4885SMN1; SMN2 4008/4885AURKA 2/4885
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, GSK3B, AURKA LMNA 1885/4885SMN1; SMN2 4341/4885AURKA 3/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 3134/4885SMN1; SMN2 4257/4885AURKA 2/4885

“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.