Sugi Predict

Sugi Predict / Compounds / SCHEMBL1373789

SCHEMBL1373789

SCHEMBL1373789

CC1(C)c2[nH]nc(NC(=O)c3cccnc3NCCCO)c2CN1S(=O)(=O)c1cc(F)cc(NCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.46
▸ NTRK1 P04629 13/20 0.43
▸ PAK4 O96013 1/20 0.39
▸ PRKCB P05771 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1371371 0.96 IGF1R (0.49) IGF1RNTRK1PAK4PRKCBCCNA2
SCHEMBL1371557 0.83 IGF1R (0.55) IGF1RNTRK1PAK4CCNA2CDK2
SCHEMBL1372764 0.82 IGF1R (0.47) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL1371643 0.82 IGF1R (0.54) IGF1RNTRK1PAK4PRKCBCCNA2
SCHEMBL1372045 0.82 IGF1R (0.54) IGF1RNTRK1PAK4CCNA2CDK2
SCHEMBL1371530 0.81 KDM4E (0.48) IGF1RNTRK1PRKCBCCNA2CDK2
SCHEMBL1370575 0.81 IGF1R (0.52) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL12143040 0.80 IGF1R (0.49) IGF1RNTRK1PAK4PRKCBCCNA2
SCHEMBL1373904 0.80 IGF1R (0.49) IGF1RNTRK1PAK4PRKCBCCNA2
SCHEMBL1373123 0.79 IGF1R (0.48) IGF1RNTRK1PAK4PRKCBCCNA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 — — US disclosed
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2011-11-24 — — US disclosed
US-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 — — US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 — — US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 — — EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 — — 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 (2 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885NTRK1 1363/4885PAK4 66/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885NTRK1 1363/4885PAK4 66/4885

“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.