SCHEMBL19783195

SCHEMBL19783195

CC(C)(O)CCOc1ncc(N=C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TBXA2R P21731 7/20 0.32
TBXAS1 P24557 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
PPARA Q07869 2/20 0.32
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
IDO1 P14902 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19782449 0.86 ESR1 (0.36) ESR1ESR2TBXA2RTBXAS1AAK1
SCHEMBL23462966 0.83 ESR1 (0.36) ESR1ESR2AAK1HPGDPOLB
SCHEMBL19776067 0.81 CA12 (0.33) ESR1ESR2AAK1
SCHEMBL21379351 0.73 POLB (0.34) ESR1ESR2AAK1HPGDPOLB
SCHEMBL19782453 0.73 POLB (0.34) ESR1ESR2AAK1HPGDPOLB
SCHEMBL30127653 0.73 ESR1 (0.39) ESR1ESR2HPGDPOLBMAPT
SCHEMBL30114390 0.70 ESR2 (0.39) ESR1ESR2MAPT
SCHEMBL17653877 0.70 ESR2 (0.39) ESR1ESR2MAPT
SCHEMBL19783174 0.70 KDM4E (0.33) ALDH1A1
SCHEMBL19783022 0.70 EDNRB (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ESR1 3332/4885ESR2 3147/4885TBXA2R 16/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ESR1 3206/4885ESR2 3215/4885TBXA2R 26/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ESR1 3332/4885ESR2 3147/4885TBXA2R 16/4885

“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.