SCHEMBL19862553

SCHEMBL19862553

CC(C)NCc1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.40
KCNH2 Q12809 5/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 1/20 0.40
OPRL1 P41146 1/20 0.39
HTR2A P28223 4/20 0.39
TP53 P04637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 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
SCHEMBL2647752 0.81 MEN1 (0.57) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12312612 0.81 KDM4E (0.47) KCNH2SLC6A4SLC6A2HTR2APARP1
SCHEMBL25584031 0.80 ALDH1A1 (0.48) PARP1ALDH1A1
SCHEMBL13881914 0.79 SLC6A4 (0.58) KCNH2SLC6A4SLC6A2HTR2A
SCHEMBL31136303 0.79 CCR5 (0.48) CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL15697693 0.79 ADRA2B (0.51) PARP1ALDH1A1
SCHEMBL14438275 0.78 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL25453552 0.77 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL18887626 0.77 ERCC1 (0.50) ERCC1ERCC4
SCHEMBL21346321 0.76 KCNH2 (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A CXCR3 2876/4885MEN1 3475/4885KMT2A 3580/4885

“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.