SCHEMBL21851152

SCHEMBL21851152

Cc1cn(-c2cc(C(F)(F)F)c(CN3CCNCC3)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 8/20 0.40
▸ MELK Q14680 2/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ YES1 P07947 1/20 0.39
▸ RET P07949 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ MKNK1 Q9BUB5 4/20 0.38
▸ MKNK2 Q9HBH9 4/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ KIT P10721 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ NR1H2 P55055 1/20 0.34

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
SCHEMBL21850829 0.84 LMNA (0.43) LMNA
SCHEMBL21850857 0.81 CYP1A2 (0.44) MELKFGFR1LMNA
SCHEMBL21850877 0.72 LMNA (0.43) MELKLMNA
SCHEMBL17320454 0.70 NR1H2 (0.51) DDR1MELKCSF1RYES1RET
SCHEMBL24135392 0.69 NR2E1 (0.40) NR2E1
SCHEMBL20575046 0.69 NR2E1 (0.40) NR2E1
SCHEMBL30444304 0.69 NR2E1 (0.40) NR2E1
SCHEMBL21850871 0.69 KCNJ1 (0.49) LMNA
SCHEMBL21850860 0.69 SCD (0.40) CYP3A4LMNA
SCHEMBL21851147 0.68 KCNJ1 (0.41) —

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-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 — — EP disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 — — 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-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 DDR1 1089/4885MELK 452/4885CSF1R 1974/4885

“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.

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