SCHEMBL6582639

SCHEMBL6582639

Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
NPC1 O15118 7/20 1.00
MAPT P10636 5/20 1.00
LMNA P02545 3/20 1.00
TSHR P16473 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MEN1 O00255 5/20 0.90
KMT2A Q03164 5/20 0.90
TP53 P04637 2/20 0.90
CYP2C19 P33261 2/20 0.90
CYP1A2 P05177 1/20 0.90
CYP3A4 P08684 1/20 0.90
CYP2C9 P11712 1/20 0.90
ALDH1A1 P00352 5/20 0.77
STAT1 P42224 1/20 0.77
GFER P55789 1/20 0.71
NPY5R Q15761 10/20 0.69
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56

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
SCHEMBL28240671 0.88 RAB9A (0.85) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL28906662 0.88 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL1143708 0.87 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL8297120 0.86 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL14132986 0.83 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6581818 0.83 NPY5R (1.00) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL6582516 0.82 NPY5R (0.76) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL8303452 0.80 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL31324278 0.78 SMN1; SMN2 (0.84) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL12615169 0.78 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTLMNA

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
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
EP-1257539-B1 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-12-29 EP disclosed
US-6531478-B2 For therapy of eating disorder, obesity, bulimia nervosa, diabetes, binge eating, anorexia nervosa, dyslipidimia, hypertension, memory loss, epileptic seizures, migraine, sleep disturbances, pain, sexual/reproductive disorders KORDIK CHERYL P (US) 2003-03-11 US disclosed
EP-1257539-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-11-20 EP disclosed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US disclosed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R RAB9A 2343/4885SMN1; SMN2 4189/4885NPC1 3099/4885
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS RAB9A 596/4885SMN1; SMN2 1031/4885NPC1 2089/4885

“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.