SCHEMBL805563

SCHEMBL805563

Cc1nc(NC(C)C)c2cncnc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
APP P05067 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ACP1 P24666 1/20 0.33
CD38 P28907 1/20 0.32
KRAS P01116 4/20 0.32
SOS1 Q07889 4/20 0.32
NPC1 O15118 3/20 0.31
TP53 P04637 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL801835 0.86 LATS1 (0.35) RAB9ALMNAHTTLATS1LATS2
SCHEMBL13437905 0.81 CYP3A4 (0.39) LATS1LATS2HSD17B10HPGDALDH1A1
SCHEMBL12619542 0.81 ALDH1A1 (0.41) RAB9ALMNAHTTLATS1LATS2
SCHEMBL13230502 0.79 SMN1; SMN2 (0.43) RAB9AUSP2LMNAHTTMEN1
SCHEMBL13107883 0.74 LMNA (0.37) RAB9AUSP2LMNAHTTMEN1
SCHEMBL10267531 0.74 LMNA (0.46) RAB9AUSP2LMNAHTTMEN1
SCHEMBL13107492 0.73 LMNA (0.41) RAB9ALMNAHTTLATS1LATS2
SCHEMBL12653931 0.73 NR4A2 (0.44) TLR7
SCHEMBL12653867 0.71 CYP3A4 (0.36) HSD17B10ALDH1A1TDP1
SCHEMBL10267532 0.71 LATS1 (0.51) RAB9AUSP2LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 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 (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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A RAB9A 3188/4885USP2 2789/4885LMNA 4218/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 RAB9A 638/4885USP2 3645/4885LMNA 3063/4885

“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.