SCHEMBL3554231

SCHEMBL3554231

Cc1cc(NC(=O)Nc2cc(C)nc(C)c2)cc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.56
PRKCI P41743 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GNG2 P59768 2/20 0.50
GNB1 P62873 2/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
RAB9A P51151 5/20 0.49
GBA1 P04062 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 1/20 0.49
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 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
SCHEMBL21816666 0.86 PRKCI (0.51) S1PR2PRKCIKMT2AMEN1GNG2
SCHEMBL12685297 0.84 LMNA (0.56) PRKCIKMT2AMEN1RAB9ANPC1
SCHEMBL6502347 0.82 PRKCI (0.53) PRKCIKMT2AMEN1GNG2GNB1
SCHEMBL3556791 0.80 CYP1A2 (0.43) S1PR2PRKCIKMT2AMEN1RAB9A
SCHEMBL13101029 0.79 KMT2A (0.55) PRKCIKMT2AMEN1RAB9ANPC1
SCHEMBL23060364 0.77 SMN1; SMN2 (0.51) PRKCISMN1; SMN2CYP1A2TP53MAPT
SCHEMBL23060363 0.77 PRKCI (0.45) PRKCIKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3554520 0.76 PRKCI (0.41) S1PR2PRKCIKMT2AMEN1RAB9A
SCHEMBL26624138 0.76 SORT1 (0.48) PRKCISMN1; SMN2MAPTSORT1POLB
SCHEMBL26624134 0.76 PRKCI (0.44) PRKCIKMT2ARAB9ANPC1SMN1; SMN2

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
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 US disclosed
EP-1554249-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 S1PR2 851/4885PRKCI 3406/4885KMT2A 3265/4885
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN S1PR2 1489/4885PRKCI 2812/4885KMT2A 3136/4885

“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.