SCHEMBL2121698

SCHEMBL2121698

CN(C)c1cccc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.49
TP53 P04637 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
F2RL3 Q96RI0 3/20 0.42
FYN P06241 1/20 0.41
MAP3K12 Q12852 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2120594 0.85 PIK3CA (0.56) PIK3CATP53DCTPP1F2RL3CA12
SCHEMBL533129 0.83 PIK3CA (0.71) PIK3CATP53CA12CA1CA2
SCHEMBL532239 0.83 ALPL (0.48) PIK3CATP53F2RL3MAP3K12CA12
SCHEMBL533328 0.83 PIK3CA (0.49) PIK3CATP53F2RL3CA12CA1
SCHEMBL2121693 0.83 PIK3CA (0.70) PIK3CADCTPP1FYN
SCHEMBL533618 0.82 PIK3CA (0.51) PIK3CATP53F2RL3MAP3K12CA12
SCHEMBL532104 0.82 PIK3CA (0.55) PIK3CAFYN
SCHEMBL532032 0.81 PIK3CA (0.68) PIK3CATP53F2RL3MAP3K12CA12
SCHEMBL452469 0.81 PIK3CA (0.73) PIK3CATP53FYNCA12CA1
SCHEMBL532339 0.80 PIK3CA (0.70) PIK3CATP53F2RL3CA12CA1

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
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 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 (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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD PIK3CA 1/4885TP53 344/4885DCTPP1 2705/4885

“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.