SCHEMBL11023797

SCHEMBL11023797

Cc1cc(Cl)ccc1-n1cc(C#N)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
F11 P03951 2/20 0.34
MAPK14 Q16539 1/20 0.34
PDE10A Q9Y233 1/20 0.34
RXRA P19793 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL11024975 0.85 NOTUM (0.42) MEN1MAPK1KMT2ASCN9AGRM5
SCHEMBL18797548 0.82 SCN9A (0.33) JAK2F11SCN9AGRM5CYP11B1
SCHEMBL18328251 0.82 F11 (0.33) JAK2F11PDE10AALDH1A1SCN9A
SCHEMBL18330394 0.81 JAK2 (0.46) JAK2MAPK14RXRAABL1BCR
SCHEMBL11131247 0.79 BCHE (0.40) PDE10AALDH1A1SCN9AGRM5CYP19A1
SCHEMBL22333589 0.79 JAK2 (0.36) JAK2MAPK14RXRAABL1BCR
SCHEMBL7222099 0.77 GAA (0.42) JAK2MAPK14RXRAABL1BCR
SCHEMBL17666294 0.75 PDE10A (0.32) PDE10AALDH1A1GRM5CYP19A1CYP11B1
SCHEMBL16983105 0.75 GCG (0.39) JAK2MAPK14RXRAABL1BCR
SCHEMBL16983159 0.74 GRM5 (0.36) PDE10AGRM5CYP19A1CYP11B1CYP11B2

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
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP claimed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 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-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 JAK2 537/4885MEN1 869/4885MAPK1 1411/4885

“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.