SCHEMBL17115166

SCHEMBL17115166

CN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
RBP4 P02753 1/20 0.45
PIM1 P11309 2/20 0.45
CDK4 P11802 2/20 0.45
CCND3 P30281 2/20 0.45
GSK3B P49841 2/20 0.45
HSD11B1 P28845 2/20 0.44
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CCNA1 P78396 5/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16244952 0.85 RBP4 (0.59) ASIC3RBP4ALDH1A1L3MBTL1HTT
SCHEMBL382564 0.85 NOTUM (0.51) PDE3BPDE3ARBP4HSD11B1
SCHEMBL12017807 0.82 ADRB2 (0.55) ASIC3PDE3BPDE3APIM1CDK4
SCHEMBL31744938 0.81 HSD11B1 (0.48) RBP4HSD11B1ALDH1A1MTORHTT
SCHEMBL24681546 0.81 POLB (0.59) ASIC3PDE3BPDE3APIM1CDK4
SCHEMBL29623590 0.81 NOTUM (0.54) PDE3BPDE3AHSD11B1ALDH1A1MTOR
SCHEMBL29959068 0.81 MAPT (0.59) ASIC3PDE3BPDE3APIM1CDK4
SCHEMBL24309870 0.81 ASIC3 (0.52) ASIC3PDE3BPDE3APIM1CDK4
SCHEMBL17115170 0.81 NCF1 (0.48) ASIC3ALDH1A1HTTMAPT
SCHEMBL17102319 0.81 NOTUM (0.54) PDE3BPDE3AHSD11B1ALDH1A1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 US disclosed
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 US disclosed
US-9914735-B2 Heteroaryl Syk inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-13 US disclosed
US-9914735-B2 Heteroaryl Syk inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-13 US disclosed
US-20160244446-A1 HETEROARYL SYK INHIBITORS EVOTEC (UK) LTD. (GB) 2016-08-25 US disclosed
US-20160244446-A1 HETEROARYL SYK INHIBITORS EVOTEC (UK) LTD. (GB) 2016-08-25 US disclosed
WO-2015140051-A1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
WO-2015140054-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO 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 (3 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-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 ASIC3 4537/4885PDE3B 2654/4885PDE3A 3569/4885
US-20160244446-A1 HETEROARYL SYK INHIBITORS SYK, BTK, IRAK1 ASIC3 4537/4885PDE3B 2141/4885PDE3A 3145/4885
US-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 ASIC3 4537/4885PDE3B 2654/4885PDE3A 3569/4885

“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.