Sugi Predict

Sugi Predict / Compounds / SCHEMBL900154

SCHEMBL900154

SCHEMBL900154

Cc1cnn(-c2ccccc2Cl)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 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
SCHEMBL11792578 0.83 NOTUM (0.43) NOTUMMEN1KMT2AMAPK14NPC1
SCHEMBL900158 0.82 PDE4B (0.58) MEN1KMT2APDE4BHPGDNPC1
SCHEMBL460952 0.79 MAPK14 (0.54) MEN1KMT2AHSD11B1MAPK14ALDH1A1
SCHEMBL4300658 0.79 MAPK1 (0.54) PKMHPGDNPC1RAB9AALDH1A1
SCHEMBL6052554 0.79 NOTUM (0.55) NOTUMMEN1KMT2APDE4BHPGD
SCHEMBL12694151 0.77 PKM (0.46) NOTUMPKMMEN1KMT2APDE4B
SCHEMBL12543895 0.76 PDE4B (0.45) NOTUMMEN1KMT2APDE4BHPGD
SCHEMBL11791537 0.74 MAPK1 (0.56) MEN1KMT2AHPGDSRCKDR
SCHEMBL3374482 0.73 FGFR1 (0.62) NOTUMMEN1KMT2AHPGDMAPK14
SCHEMBL12691754 0.72 ALDH1A1 (0.45) PKMKMT2APDE4BHPGDMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 — — EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 — — WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 — — 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A NOTUM 4607/4885PKM 4267/4885MEN1 3660/4885

“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.