SCHEMBL2321330

SCHEMBL2321330

Cc1nccn2c1c(Br)nc2[C@H]1CC[C@H](CN(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.42
IGF1R P08069 5/20 0.41
PKM P14618 2/20 0.40
KCNA5 P22460 1/20 0.38
PDPK1 O15530 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
INSR P06213 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MAP2K1 Q02750 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL14236770 0.84 TNK2 (0.41) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL2322793 0.84 TNK2 (0.41) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL2326855 0.83 TNK2 (0.44) TNK2IGF1R
SCHEMBL2327531 0.82 KCNA5 (0.39) TNK2IGF1RPKMKCNA5HDAC1
SCHEMBL2326560 0.81 OPRM1 (0.38) TNK2IGF1RPKM
SCHEMBL594538 0.80 TNK2 (0.51) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL593638 0.80 TNK2 (0.41) TNK2IGF1R
SCHEMBL593640 0.80 TNK2 (0.41) TNK2IGF1R
SCHEMBL594540 0.80 TNK2 (0.51) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL2324232 0.80 TNK2 (0.49) TNK2IGF1RPDPK1ABL1EGFR

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-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO 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-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN TNK2 142/4885IGF1R 627/4885PKM 761/4885

“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.