SCHEMBL4447236

SCHEMBL4447236

O=C(CCl)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
CASP3 P42574 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MITF O75030 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
NOD2 Q9HC29 1/20 0.44
PRMT1 Q99873 1/20 0.43
LMNA P02545 3/20 0.43
GSTO1 P78417 5/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6519579 0.85 TERT (0.48) MAPTKDM4EMEN1KMT2A
SCHEMBL2705691 0.83 POLB (0.50) CASP3NPSR1MAPTMEN1KMT2A
SCHEMBL2704274 0.83 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL10109310 0.83 TERT (0.50) MEN1KMT2A
SCHEMBL1247686 0.80 ROCK2 (0.55) ALDH1A1RAB9ANPC1MAPTKDM4E
SCHEMBL1156215 0.80 PEPD (0.42) EGFRALDH1A1NPC1LMNAMAPT
SCHEMBL11067406 0.80 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL14360693 0.79 CA2 (0.46) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL9172845 0.79 ROCK2 (0.54) ALDH1A1RAB9ANPC1MAPTKDM4E
SCHEMBL11489249 0.79 LMNA (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
EP-1531811-B1 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2008-10-29 EP disclosed
EP-1531811-B1 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2008-10-29 EP disclosed
US-20060287379-A1 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (gnrh) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1531811-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004017961-A2 DERIVATIVES OF 3-HYDROXY-4-(CYCLYL-ALKYLAMINOALKYL)-5-PHENYL-1H-PYRAZOLE AS ANTAGONISTS OF THE GONADOTROPIN RELEASING HORMONE (GNRH) FOR USE IN THE TREATMENT OF SEX HORMONE RELATED CONDITIONS, SUCH AS PROSTATIC OF UTERINE CANCER ASTRAZENECA AB (SE) 2004-03-04 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 (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-20060287379-A1 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (gnrh) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer GNRHR, LHCGR, GHRHR EGFR 2843/4885CASP3 1130/4885ALDH1A1 1562/4885

“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.