SCHEMBL14537390

SCHEMBL14537390

Cc1cc(C(=O)O)c2c(O)ncnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ NOTUM Q6P988 6/20 0.35
▸ MYC P01106 3/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 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
SCHEMBL12365521 0.84 KDM4E (0.43) KDM4ERXFP1ALDH1A1TDP1NOTUM
SCHEMBL12537629 0.83 KDM4E (0.42) KDM4ERXFP1ALDH1A1TDP1NOTUM
SCHEMBL12537191 0.81 NTRK1 (0.42) KDM4ERXFP1ALDH1A1TDP1
SCHEMBL13869069 0.81 RXFP1 (0.34) KDM4ERXFP1PTPN1
SCHEMBL12365531 0.80 KDM4E (0.40) KDM4ERXFP1ALDH1A1TDP1NOTUM
SCHEMBL24392462 0.78 ALDH1A1 (0.43) KDM4EALDH1A1PKMHTT
SCHEMBL14651882 0.72 SMN1; SMN2 (0.40) KDM4EALDH1A1TDP1AXLMERTK
SCHEMBL4815952 0.71 KDR (0.42) —
SCHEMBL13695404 0.70 KDM4E (0.42) KDM4EALDH1A1NOTUMMEN1KMT2A
SCHEMBL13695383 0.69 MAPK1 (0.38) KDM4EALDH1A1MYCKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 — — US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 — — US disclosed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 KDM4E 1013/4885RXFP1 4629/4885ALDH1A1 3447/4885

“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