SCHEMBL9525142

SCHEMBL9525142

Cc1cn(C(=O)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TYMP P19971 1/20 0.41
NR2E1 Q9Y466 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.39
STAT1 P42224 1/20 0.39
MGAM O43451 2/20 0.39
AMY1A P0DUB6 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL22199188 0.83 ENPP3 (0.50) MAPTHPGDKMT2ARAB9ASLC6A7
SCHEMBL15473181 0.78 BLM (0.41) MAPTHPGDKMT2ANPC1RAB9A
SCHEMBL6896811 0.77 KDM5A (0.36) MAPTGLASTAT1MGAMAMY1A
SCHEMBL5662882 0.77
SCHEMBL12604282 0.75 HPGD (0.48) TYMPSIGMAR1CYP3A4CYP2C9CYP2C19
SCHEMBL15469274 0.74 GRN (0.41) GAAKMT2ANPC1RAB9ASLC6A7
SCHEMBL6892982 0.73 NAMPT (0.40) CYP2C19MGAMAMY1AGAASI
SCHEMBL4969959 0.71 ALPL (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL12604279 0.70 CES2 (0.48) MAPTTYMPCYP3A4CYP2C9CYP2C19
SCHEMBL3172447 0.69 TSHR (0.50) MAPTSIGMAR1CYP3A4CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-07-18 US disclosed
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 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-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC MAPT 1329/4885TYMP 3193/4885NR2E1 3658/4885

“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.