SCHEMBL760728

SCHEMBL760728

Cc1nc2ccccc2n1CCN

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
TNF P01375 1/20 0.60
LMNA P02545 4/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
GALR3 O60755 3/20 0.57
NR2F2 P24468 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
AGER Q15109 1/20 0.51
APAF1 O14727 1/20 0.51

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
SCHEMBL11062185 0.90 LMNA (0.64) PKMTNFLMNAHTTTP53
SCHEMBL6446137 0.89 LMNA (0.69) PKMTNFLMNAHTTTP53
SCHEMBL8273589 0.87 LMNA (0.61) PKMTNFLMNAHTTTP53
SCHEMBL10231515 0.86 PKM (0.60) PKMTNFLMNAHTTTP53
SCHEMBL2330274 0.84 LMNA (0.69) PKMTNFLMNAHTTTP53
SCHEMBL229041 0.84 POLB (0.67) PKMTNFLMNAHTTTP53
SCHEMBL1520226 0.82 KMT2A (0.62) PKMTNFLMNAHTTTP53
SCHEMBL12479063 0.82 TNF (0.65) PKMTNFLMNAHTTTP53
SCHEMBL1022300 0.81 TLR8 (0.69) PKMTNFLMNAHTTTP53
SCHEMBL540958 0.81 TNF (0.73) PKMTNFLMNAHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 PKM 1182/4885TNF 4801/4885LMNA 3544/4885
US-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS PKM 4276/4885TNF 4380/4885LMNA 3883/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 PKM 1896/4885TNF 302/4885LMNA 2850/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 PKM 1182/4885TNF 4801/4885LMNA 3544/4885

“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.