SCHEMBL16505287

SCHEMBL16505287

NC(=O)c1nc(-c2cc(Br)ccc2F)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K3 P46734 2/20 0.49
▸ DGAT1 O75907 1/20 0.43
▸ PIM2 Q9P1W9 7/20 0.38
▸ PIM3 Q86V86 6/20 0.38
▸ PIM1 P11309 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PLAU P00749 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ NMUR2 Q9GZQ4 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
SCHEMBL16506022 0.81 ATR (0.47) DGAT1PIM2PIM3PIM1CDC7
SCHEMBL16506335 0.78 DGAT1 (0.41) MAP2K3DGAT1KDM4EGLAPLAU
SCHEMBL16506229 0.76 PIM1 (0.35) MAP2K3DGAT1PIM2PIM3PIM1
SCHEMBL16506486 0.75 PTGER4 (0.39) MAP2K3KDM4EGLAIDO1
SCHEMBL16506308 0.74 MAP2K3 (0.68) MAP2K3CDC7POLBMAPTRXFP1
SCHEMBL18039665 0.74 DGAT1 (0.42) DGAT1PIM1CDC7CCNE1CDK2
SCHEMBL16517425 0.73 ATR (0.50) —
SCHEMBL11906876 0.72 CTSA (0.40) MAP2K3PIM2PIM3PIM1
SCHEMBL16517524 0.72 MAP2K3 (0.39) MAP2K3PIM2PIM3PIM1KDM4E
SCHEMBL16505550 0.70 ATR (0.47) PIM2PIM3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 — — US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — 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 (3 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP2K3 3255/4885DGAT1 677/4885PIM2 3820/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP2K3 3255/4885DGAT1 677/4885PIM2 3820/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP2K3 3255/4885DGAT1 677/4885PIM2 3820/4885

“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.

Send feedback