SCHEMBL14092979

SCHEMBL14092979

CN(C)CCNc1cc(C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
CCR2 P41597 6/20 0.38
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
P2RX1 P51575 2/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL14092973 0.90 KCNH2 (0.40) CCR2TACR1KDM4EGAAMAPT
SCHEMBL10104260 0.83 RAPGEF4 (0.44) SYKKDM4EMAPTRAPGEF4TRPA1
SCHEMBL15315558 0.83 NOS2 (0.43) SYKKDM4EMAPTCYP1A2
SCHEMBL10169353 0.82 SYK (0.42) SYKCCR2TACR1KDM4EP2RX1
SCHEMBL14117049 0.81 CCR2 (0.39) SYKCCR2TACR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL793722 0.81 SYK (0.42) SYKCCR2TACR1KDM4EP2RX1
SCHEMBL2343338 0.78 GABRA1 (0.44) KDM4EALDH1A1GAAMAPTCYP1A2
SCHEMBL14065398 0.77 HRH3 (0.51) SYKKDM4EMAPTCYP1A2
SCHEMBL14955274 0.77 SYK (0.54) SYKKDM4EALDH1A1GAAMAPT
SCHEMBL15077173 0.76 TACR1 (0.46) CCR2TACR1

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-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 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 (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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 SYK 396/4885CCR2 703/4885TACR1 4597/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 SYK 357/4885CCR2 2119/4885TACR1 4251/4885

“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.