SCHEMBL3605758

SCHEMBL3605758

Clc1cccc(Nc2nccc(-c3ccnc4ccccc34)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.62
EIF2AK2 P19525 2/20 0.59
ABL1 P00519 1/20 0.59
BCR P11274 1/20 0.59
PRKCA P17252 1/20 0.59
PRKCD Q05655 1/20 0.59
CAMK2D Q13557 4/20 0.58
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CG P48736 2/20 0.56
CDK2 P24941 4/20 0.55
CDK4 P11802 1/20 0.55
IGF1R P08069 1/20 0.55
PLK1 P53350 1/20 0.53
EGFR P00533 2/20 0.52
LCK P06239 1/20 0.51
CSNK2A1 P68400 1/20 0.51
BRD4 O60885 1/20 0.51
CDK9 P50750 1/20 0.51

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
SCHEMBL7469256 0.87 CDK1 (0.61) ABL1PRKCAPRKCDCAMK2DCDK2
SCHEMBL7462357 0.86 CDK1 (0.65) EIF2AK2ABL1BCRPIK3CAPIK3CB
SCHEMBL3246773 0.81 NUDT1 (0.61) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3246795 0.81 NUDT1 (0.62) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3602654 0.80 ABL1 (0.59) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3600200 0.80 CDK2 (0.64) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3605872 0.80 PIK3CA (0.62) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3247335 0.80 EIF2AK2 (0.62) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3251717 0.80 CDK1 (0.76) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3599515 0.80 ABL1 (0.65) EIF2AK2ABL1BCRPRKCAPRKCD

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
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 FADS1 1051/4885EIF2AK2 2174/4885ABL1 3215/4885

“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.