SCHEMBL18775271

SCHEMBL18775271

Cc1cc(N)cc(CN2CCN(C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MC4R P32245 1/20 0.49
CHKA P35790 3/20 0.45
CA2 P00918 1/20 0.45
NCF1 P14598 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 1/20 0.43
NR1H2 P55055 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GPR183 P32249 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
SCHEMBL18753614 0.91 LMNA (0.58) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL22712682 0.89 LMNA (0.67) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL4520045 0.86 ALDH1A1 (0.52) LMNAALDH1A1KDM4ENCF1PRMT6
SCHEMBL29716091 0.81 LMNA (0.57) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL15000246 0.81 LMNA (0.57) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL24197405 0.81 MAPT (0.49) ALDH1A1MAPTNCF1NOS3NOS1
SCHEMBL30417083 0.81 MAPT (0.49) ALDH1A1MAPTNCF1NOS3NOS1
SCHEMBL19847092 0.81 GPR183 (0.42) LMNAALDH1A1KDM4EMAPTAURKA
SCHEMBL6295492 0.80 HRH3 (0.55) LMNAALDH1A1KDM4EGPR183
SCHEMBL18773675 0.79 MC4R (0.53) LMNAALDH1A1KDM4EMAPTMC4R

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
US-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-12-07 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-9765072-B2 1H-1,8-naphthyridin-2ones as anti proliferative compounds NATCO PHARMA LIMITED (US) 2017-09-19 US disclosed
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-04-27 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 (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-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, MCL1 LMNA 1878/4885ALDH1A1 472/4885KDM4E 2580/4885
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 LMNA 3822/4885ALDH1A1 78/4885KDM4E 2859/4885
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, ABL2 LMNA 1623/4885ALDH1A1 390/4885KDM4E 2534/4885

“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.