SCHEMBL3788198

SCHEMBL3788198

Cc1c(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nc2cc(F)cc(F)c2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
GPR119 Q8TDV5 11/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ABCB1 P08183 1/20 0.38
MET P08581 1/20 0.37
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
NTRK1 P04629 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL2712304 1.00 PIK3CA (0.42) PIK3CAGPR119SMARCA2SMARCA4PBRM1
SCHEMBL2732507 1.00 PIK3CA (0.42) PIK3CAGPR119SMARCA2SMARCA4PBRM1
SCHEMBL2713325 0.86 SMO (0.37) MAPTLMNAADAMTS5
SCHEMBL248736 0.85 PIK3CA (0.54) PIK3CAGPR119MAPTLMNATP53
SCHEMBL3780861 0.83 MAP4K4 (0.43) PIK3CAGPR119MAPTLMNANTRK1
SCHEMBL3782700 0.83 MAP4K4 (0.43) PIK3CAGPR119MAPTLMNANTRK1
SCHEMBL3780862 0.83 MAP4K4 (0.43) PIK3CAGPR119MAPTLMNANTRK1
SCHEMBL248471 0.79 TRPV1 (0.38) PIK3CAHDAC6NTRK1
SCHEMBL248470 0.79 TRPV1 (0.38) PIK3CAHDAC6NTRK1
SCHEMBL248998 0.79 TRPV1 (0.38) PIK3CAHDAC6NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885GPR119 2483/4885SMARCA2 316/4885

“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.