SCHEMBL614873

SCHEMBL614873

Cc1nc2c(Cl)c(N)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL26923166 0.79 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL6492669 0.76 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL6503427 0.75 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16806045 0.74 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL6118671 0.74 FBP1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL29734999 0.72 JAK2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL26921415 0.72 JAK2 (0.33) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL25960506 0.72 SMN1; SMN2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3295739 0.70 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL6502331 0.70 NPC1 (0.43) KDM4EALDH1A1LMNANPC1RAB9A

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-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 CYP1A2 153/4885CYP3A4 155/4885CYP2C9 138/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 CYP1A2 330/4885CYP3A4 233/4885CYP2C9 259/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 CYP1A2 330/4885CYP3A4 233/4885CYP2C9 259/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 CYP1A2 138/4885CYP3A4 115/4885CYP2C9 181/4885

“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.