SCHEMBL16764938

SCHEMBL16764938

Nc1nn2ccccc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
PDE5A O76074 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
PDE4A P27815 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL19699982 0.86 MIF (0.48) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL15897069 0.82 MEN1 (0.48) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL2809874 0.81 ALDH1A1 (0.49) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL27075517 0.81 ALDH1A1 (0.49) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL951965 0.79 MEN1 (0.51) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL15897066 0.79 MIF (0.48) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL30661128 0.79 MIF (0.48) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL9199217 0.78 EGFR (0.60) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL16764335 0.77 TSHR (0.53) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL13860561 0.77 EGFR (0.59) MIFALDH1A1MEN1PDE5ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 US disclosed
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-20160326180-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-10 US disclosed
EP-3077393-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2016-10-12 EP disclosed
WO-2015084384-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-11 WO disclosed
US-20150158868-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-06-11 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 (4 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB MIF 2054/4885ALDH1A1 3154/4885MEN1 1386/4885
US-20150158868-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MIF 1392/4885ALDH1A1 4162/4885MEN1 2028/4885
US-20160326180-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 MIF 1392/4885ALDH1A1 4162/4885MEN1 2028/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MIF 2054/4885ALDH1A1 3154/4885MEN1 1386/4885

“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.