SCHEMBL8179072

SCHEMBL8179072

Nc1ncccc1C(=O)c1ccc(C(=O)Nc2ccccc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.68
ATR Q13535 1/20 0.51
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
KDM4E B2RXH2 3/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL1481026 0.93 PRKCI (0.60) PRKCIATRMEN1MAPTKMT2A
SCHEMBL1481533 0.85 RAB9A (0.51) PRKCIMEN1MAPTKMT2AALDH1A1
SCHEMBL27794490 0.83 MAPT (0.46) PRKCIATRMEN1MAPTKMT2A
SCHEMBL8963872 0.83 NAPRT (0.47) PRKCIALDH1A1GAANPC1RAB9A
SCHEMBL29965281 0.82 PRKCI (1.00) PRKCIATRMEN1MAPTKMT2A
SCHEMBL25565213 0.82 PRKCI (1.00) PRKCIATRMEN1MAPTKMT2A
SCHEMBL8963999 0.80 PRKCI (0.51) PRKCIMAPTGAANPC1RAB9A
SCHEMBL9007586 0.80 HDAC3 (0.54) PRKCIMEN1MAPTKMT2AALDH1A1
SCHEMBL13716708 0.73 NPC1 (0.63) ATRMEN1MAPTKMT2AGAA
SCHEMBL8964314 0.72 HDAC3 (0.54) MEN1MAPTKMT2AALDH1A1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
WO-2008094992-A2 2-AMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-07 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885ATR 489/4885MEN1 1427/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885ATR 489/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885ATR 489/4885MEN1 1427/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCI 30/4885ATR 489/4885MEN1 1427/4885

“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.