SCHEMBL10375396

SCHEMBL10375396

C1=CN2C=Cc3ccccc3C2=NC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 9/20 0.34
EED O75530 1/20 0.34
CFTR P13569 1/20 0.32
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD1 P21728 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
SCHEMBL11611847 0.67 CFTR (0.37) PTAFRCFTR
SCHEMBL420607 0.67 ABCB11 (0.31) ABCB11ALDH1A1TP53CYP1A2CHRM2
SCHEMBL12783277 0.67 PTAFR (0.48) PTAFREED
SCHEMBL10375401 0.64 CFTR (0.32) PTAFREEDCFTR
SCHEMBL3109000 0.64 PTAFR (0.42) PTAFREEDALDH1A1TP53CYP2C19
SCHEMBL8003373 0.64
SCHEMBL5626323 0.63 CFTR (0.33) PTAFREEDCFTRABCB11ALDH1A1
SCHEMBL8285872 0.63 KDM4E (0.36) PTAFRABCB11ALDH1A1TP53CYP1A2
SCHEMBL11415417 0.62 NISCH (0.38) PTAFREEDCHRM1
SCHEMBL20368824 0.62 CFTR (0.32) PTAFREEDCFTRABCB11ALDH1A1

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 10 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
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 PTAFR 1269/4885EED 1872/4885CFTR 181/4885
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN2, PTPN5 PTAFR 1269/4885EED 1872/4885CFTR 181/4885

“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.