SCHEMBL3554520

SCHEMBL3554520

Cc1cc(NC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SORT1 Q99523 1/20 0.39
S1PR2 O95136 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
GBA1 P04062 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3561164 0.87 KDM4E (0.35) PRKCIMAPTMEN1LMNAKMT2A
SCHEMBL3554231 0.76 S1PR2 (0.56) PRKCIMAPTMEN1LMNAKMT2A
SCHEMBL23240069 0.75 ALDH1A1 (0.59) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21871197 0.72 CA12 (0.46) PRKCISORT1
SCHEMBL21816666 0.72 PRKCI (0.51) PRKCIMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12685297 0.70 LMNA (0.56) PRKCIMAPTMEN1LMNAKMT2A
SCHEMBL6502347 0.69 PRKCI (0.53) PRKCIMAPTMEN1LMNAKMT2A
SCHEMBL23060364 0.68 SMN1; SMN2 (0.51) PRKCIMAPTSMN1; SMN2SORT1HDAC4
SCHEMBL23060363 0.68 PRKCI (0.45) PRKCIMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL26624138 0.67 SORT1 (0.48) PRKCIMAPTSMN1; SMN2SORT1HDAC4

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 10 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
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN 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
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN 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 (1 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 PRKCI 3406/4885MAPT 1151/4885MEN1 1845/4885

“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.