SCHEMBL4264158

SCHEMBL4264158

Cc1nc(N[C@H]2CC[C@@H](C(=O)Nc3ccc(F)c(F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.47
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
JAK1 P23458 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDR P35968 2/20 0.39
TTK P33981 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK14 Q16539 1/20 0.39
ABL1 P00519 2/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
KMT2A Q03164 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
SCHEMBL4264164 1.00 MCHR1 (0.47) MCHR1KCNQ3KCNQ2JAK1NPC1
Hydrochloric Acid SCHEMBL4256601 0.99 MCHR1 (0.46) MCHR1KCNQ3KCNQ2JAK1NPC1
Hydrochloric Acid SCHEMBL4256596 0.99 MCHR1 (0.46) MCHR1KCNQ3KCNQ2JAK1NPC1
SCHEMBL4255651 0.91 KMT2A (0.50) SMN1; SMN2NR1I2AHRKMT2A
SCHEMBL4255650 0.91 KMT2A (0.50) SMN1; SMN2NR1I2AHRKMT2A
Hydrochloric Acid SCHEMBL4256042 0.91 KMT2A (0.49) MCHR1SMN1; SMN2NR1I2AHRKMT2A
Hydrochloric Acid SCHEMBL4256048 0.91 KMT2A (0.49) MCHR1SMN1; SMN2NR1I2AHRKMT2A
SCHEMBL4256525 0.90 MCHR1 (0.39) MCHR1KDRABL1
SCHEMBL4256520 0.90 MCHR1 (0.39) MCHR1KDRABL1
Hydrochloric Acid SCHEMBL4263572 0.89 ABL1 (0.39) MCHR1KDRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885KCNQ3 3071/4885KCNQ2 2247/4885

“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.