SCHEMBL10375397

SCHEMBL10375397

C1=CN2C=Cc3ccccc3C2N=C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ HTR2A P28223 1/20 0.32
▸ ATM Q13315 1/20 0.31

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
SCHEMBL11068277 0.75 BRD4 (0.35) BRD4CCL2HTR2AATM
SCHEMBL418352 0.68 BRD4 (0.38) BRD4CCL2HTR2AATM
SCHEMBL11611849 0.67 ATM (0.34) BRD4CCL2ATM
SCHEMBL11348748 0.64 BRD4 (0.41) BRD4CCL2HTR2AATM
SCHEMBL25038692 0.63 BRD4 (0.36) BRD4CCL2HTR2A
SCHEMBL17284105 0.62 BRD4 (0.36) BRD4CCL2HTR2AATM
SCHEMBL10870805 0.61 ATM (0.37) BRD4CCL2ATM
SCHEMBL8003375 0.61 BRD4 (0.35) BRD4CCL2HTR2AATM
Hydrochloric Acid SCHEMBL11111763 0.61 BRD4 (0.35) BRD4CCL2HTR2AATM
SCHEMBL514156 0.61 BRD4 (0.34) BRD4CCL2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2024-06-20 — — US disclosed
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-02-20 — — US disclosed
EP-0166439-B1 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1990-05-09 — — EP disclosed
US-4661592-A ANORECTIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 — — US disclosed
EP-0166439-A2 4H-pyrimido[2,1-a]isoquinolin-4-one derivatives G.D. Searle & Co. (US) 1986-01-02 — — EP disclosed
US-4535081-A Antiallergic and antiulcer 1-oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides and intermediates therefor PFIZER INC. (US) 1985-08-13 — — US disclosed
US-4423048-A Antiallergic and antiulcer 1-oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides and intermediates therefor PFIZER INC. (US) 1983-12-27 — — US disclosed
US-4414388-A ANTIALLERGENS, ANTIULCER AGENTS PFIZER INC. (US) 1983-11-08 — — US disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 — — US disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 — — US disclosed
US-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 — — 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 (2 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-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 BRD4 1319/4885CCL2 255/4885HTR2A 3903/4885
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN2, PTPN5 BRD4 1319/4885CCL2 255/4885HTR2A 3903/4885

“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