SCHEMBL3473189

SCHEMBL3473189

C[C@@H](Oc1cncc(Cl)n1)c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
DHFR P00374 2/20 0.39
NUDT1 P36639 1/20 0.39
CDK2 P24941 1/20 0.34
CSF1R P07333 7/20 0.34
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FRK P42685 1/20 0.32
DDR1 Q08345 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 3/20 0.32

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
SCHEMBL3473192 1.00 HTR2C (0.43) HTR2CDHFRNUDT1CDK2CSF1R
SCHEMBL3266330 0.84 HTR2C (0.60) HTR2CDHFRNUDT1CSF1RSLC6A4
SCHEMBL3268357 0.83 NUDT1 (0.43) HTR2CNUDT1CDK2CSF1RALDH1A1
SCHEMBL31080147 0.83 NUDT1 (0.43) HTR2CNUDT1CDK2CSF1RALDH1A1
SCHEMBL31080061 0.79 HDAC1 (0.42) HTR2CCSF1RSLC6A2SLC6A4SLC6A3
SCHEMBL3474936 0.79 HTR2C (0.40) HTR2CALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL3474935 0.79 HTR2C (0.40) HTR2CALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL3473531 0.73 CSF1R (0.58) NUDT1CDK2CSF1RKRASSOS1
SCHEMBL3473529 0.73 CSF1R (0.58) NUDT1CDK2CSF1RKRASSOS1
SCHEMBL4432008 0.70 CDK2 (0.40) HTR2CCDK2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848610-B1 Inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-10-11 EP disclosed
EP-3048099-A2 INHIBITORS OF KINASE ACTIVITY YM BioSciences Australia Pty Ltd (AU) 2016-07-27 EP disclosed
US-9029386-B2 Pyridine derivatives useful as kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-05-12 US disclosed
EP-2848610-A1 Inhibitors of kinase activity YM BioSciences Australia Pty Ltd (AU) 2015-03-18 EP disclosed
US-8461161-B2 Substituted pyrazines as inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-06-11 US disclosed
US-20130137660-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-05-30 US disclosed
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-05-27 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-20130137660-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HTR2C 1061/4885DHFR 1288/4885NUDT1 4114/4885
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HTR2C 1061/4885DHFR 1288/4885NUDT1 4114/4885

“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.