SCHEMBL17075646

SCHEMBL17075646

CC1(C)OB(c2ccc(OCCN3CCOCC3)c(F)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
KDR P35968 1/20 0.43
SYK P43405 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
NPC1 O15118 1/20 0.40
AXL P30530 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3561000 0.90 LTA4H (0.50) KDM4ETSHRKDRHTR2CHTR2B
SCHEMBL31068420 0.87 POLB (0.51) KDM4EPOLBTSHRSYKALDH1A1
SCHEMBL722986 0.86 SYK (0.50) KDM4EPOLBTSHRSYKHTR2C
SCHEMBL13957871 0.86 POLB (0.44) KDM4EPOLBTSHRSYKHTR2C
SCHEMBL14758443 0.84 TSHR (0.62) KDM4EPOLBTSHRHTR2CHTR2B
SCHEMBL430271 0.84 ALDH1A1 (0.43) POLBTSHRSYKALDH1A1MAPT
SCHEMBL22636056 0.82 ALDH1A1 (0.44) POLBTSHRSYKHTR2CHTR2B
SCHEMBL2801570 0.82 KDM4E (0.45) KDM4EPOLBTSHRHTR2BALDH1A1
SCHEMBL2797649 0.81 TSHR (0.52) KDM4ETSHRSYKHTR2BALDH1A1
SCHEMBL171775 0.81 ALDH1A1 (0.55) KDM4ETSHRHTR2BLTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053923-B1 TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS KOREA RES INST CHEMICAL TECH (KR) 2018-04-11 EP disclosed
EP-3053923-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2016-08-10 EP disclosed
US-9403831-B2 Triazolopyrazine derivative and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-08-02 US disclosed
US-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF HANDOK INC. (KR) 2015-09-17 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-20150259350-A1 NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF MET, RET, BRAF KDM4E 1039/4885POLB 3908/4885TSHR 1085/4885

“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.