SCHEMBL17991850

SCHEMBL17991850

Cc1ncn(-c2ccc(C)c(F)c2C)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL15593985 0.83 MAPK10 (0.32) ATRPSEN1PSEN2APH1BNCSTN
SCHEMBL6127798 0.72 EED (0.33) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL17666297 0.72 GAA (0.43) LMNAMAPT
SCHEMBL16202018 0.72 PSEN1 (0.41) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL17666291 0.72 CYP1A2 (0.43) LMNA
SCHEMBL16202003 0.71 HSD17B10 (0.42) LMNAMAPT
SCHEMBL30725595 0.71 ADORA1 (0.47) LMNAMAPT
SCHEMBL16201996 0.71 FLT3 (0.44) LMNAMAPT
SCHEMBL10262360 0.71 HCRTR1 (0.34)
SCHEMBL6127829 0.70 F9 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 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-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ATR 4773/4885LMNA 1884/4885MAPT 267/4885

“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.