SCHEMBL172575

SCHEMBL172575

Cc1cc(=O)n(Cc2c(F)cccc2F)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.39
PKM P14618 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ROCK2 O75116 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL22702886 0.88 HPGD (0.41) MAPT
SCHEMBL6243233 0.79 KMT2A (0.55) MAPTKMT2ASMN1; SMN2ALDH1A1ATM
SCHEMBL127368 0.79 TYMP (0.45) MAPTKMT2ACA12JAK2JAK3
SCHEMBL4764015 0.78 KMT2A (0.69) MAPTKMT2ASMN1; SMN2ALDH1A1TP53
SCHEMBL6615985 0.77 JAK2 (0.40) MAPTLMNACA12JAK2JAK3
SCHEMBL124962 0.77 ALDH1A1 (0.51) MAPTKMT2ASMN1; SMN2CA12ALDH1A1
SCHEMBL12648501 0.77 GNRHR (0.37) MAPTKMT2ASMN1; SMN2LMNACA12
SCHEMBL12727250 0.72 TYMP (0.42) MAPTKMT2ASMN1; SMN2LMNAPKM
SCHEMBL4864080 0.72 TYMS (0.48) MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7644570 0.72 ALDH1A1 (0.44) MAPTKMT2AJAK2JAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MAPT 4761/4885KMT2A 1311/4885SMN1; SMN2 4398/4885

“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.