SCHEMBL2391007

SCHEMBL2391007

CC(=O)N(C)C1CCC(Oc2cc(F)ccc2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.50
DPP9 Q86TI2 8/20 0.50
DPP7 Q9UHL4 7/20 0.50
DPP8 Q6V1X1 3/20 0.50
GPR6 P46095 1/20 0.37
RORC P51449 1/20 0.35
KEAP1 Q14145 1/20 0.35
GRIN2B Q13224 1/20 0.34
HTR2A P28223 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL2392599 1.00 DPP4 (0.50) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2391003 1.00 DPP4 (0.50) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2392291 0.93 DPP4 (0.46) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2369742 0.88 DPP4 (0.39) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2369734 0.88 DPP4 (0.39) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2390577 0.84 DPP4 (0.39) DPP4DPP9DPP7DPP8GPR6
SCHEMBL2390574 0.84 DPP4 (0.39) DPP4DPP9DPP7DPP8GPR6
SCHEMBL24997173 0.82 ALDH1A1 (0.43) KEAP1HTR2AALDH1A1
SCHEMBL2396231 0.81 CYP4F2 (0.40) DPP4DPP9DPP7DPP8HTR2A
SCHEMBL2391512 0.81 CYP4F2 (0.40) DPP4DPP9DPP7DPP8HTR2A

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
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 DPP4 3522/4885DPP9 1342/4885DPP7 1879/4885

“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.