SCHEMBL169918

SCHEMBL169918

COc1cccc(-c2c(C3CCN(C(=O)OC(C)(C)C)CC3)c(Br)c3c(N)ncnn23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.52
▸ EGFR P00533 3/20 0.52
▸ ABL1 P00519 2/20 0.52
▸ ABL2 P42684 2/20 0.52
▸ RIPK1 Q13546 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ TNK2 Q07912 1/20 0.41
▸ PIK3CD O00329 5/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14313223 0.77 PIK3CD (0.55) SRCEGFRABL1ABL2RIPK1
SCHEMBL60534 0.75 RIPK1 (0.46) RIPK1TNK2PIK3CDMEN1KMT2A
SCHEMBL14312978 0.73 AXL (0.50) SRCEGFRABL1ABL2
SCHEMBL14327066 0.73 PIK3CD (0.53) SRCEGFRABL1ABL2RIPK1
SCHEMBL14312962 0.72 GPR119 (0.43) RIPK1MEN1KMT2ATP53ALDH1A1
SCHEMBL14313021 0.72 RIPK1 (0.44) RIPK1TNK2PIK3CDMEN1KMT2A
SCHEMBL8108104 0.72 SRC (0.91) SRCEGFRABL1ABL2
SCHEMBL58551 0.71 RIPK1 (0.49) SRCEGFRABL1ABL2RIPK1
SCHEMBL22132831 0.71 RIPK1 (0.44) SRCEGFRABL1ABL2RIPK1
SCHEMBL14327083 0.71 PIK3CD (0.48) SRCEGFRABL1ABL2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 — — EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 — — US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 — — EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 — — 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 SRC 78/4885EGFR 3296/4885ABL1 60/4885

“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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