SCHEMBL16786017

SCHEMBL16786017

Cc1cccc(Cc2nnc(-c3ccc(Oc4ncnc5[nH]ccc45)cc3)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.47
TNNI3K Q59H18 2/20 0.44
TTBK1 Q5TCY1 2/20 0.44
TTBK2 Q6IQ55 2/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDR P35968 3/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
RAB9A P51151 2/20 0.39
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16788826 0.87 TNNI3K (0.54) TRPA1TNNI3KTTBK1TTBK2POLB
SCHEMBL14949199 0.81 TTBK1 (0.49) TRPA1TNNI3KTTBK1TTBK2TSHR
SCHEMBL14949361 0.73 TTBK1 (0.48) TRPA1TNNI3KTTBK1TTBK2HPGD
SCHEMBL14949390 0.72 TTBK1 (0.50) TRPA1TNNI3KTTBK1TTBK2TP53
SCHEMBL12336389 0.70 KDR (0.61) TRPA1TNNI3KTTBK1TTBK2KDR
SCHEMBL15257736 0.66 CDK2 (0.46) HPGDTSHRTP53SMN1; SMN2LMNA
SCHEMBL30564544 0.65 TRPA1 (0.75) TRPA1TNNI3KTTBK1TTBK2KDR
SCHEMBL2882091 0.65 TRPA1 (0.75) TRPA1TNNI3KTTBK1TTBK2KDR
SCHEMBL14949314 0.64 TTBK1 (0.49) TRPA1TNNI3KTTBK1TTBK2KDR
SCHEMBL2356649 0.62 CCNK (0.55) HPGDTSHRLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 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-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 TRPA1 3600/4885TNNI3K 56/4885TTBK1 221/4885

“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.