SCHEMBL16573756

SCHEMBL16573756

C[C@@H]1CCCN1c1cc(C2CCN(C)CC2)cc(Nc2cc(C#N)ccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 17/20 0.58
▸ DLK1 P80370 1/20 0.53
▸ DRG1 Q9Y295 1/20 0.53
▸ MAP3K13 O43283 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ MAP3K9 P80192 1/20 0.51
▸ MAP3K10 Q02779 1/20 0.51
▸ MAP3K11 Q16584 1/20 0.51
▸ EGLN2 Q96KS0 1/20 0.45
▸ SYK P43405 1/20 0.44
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44

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
SCHEMBL19910152 0.93 MAP3K12 (0.57) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL15602532 0.91 MAP3K12 (0.65) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL16568637 0.91 MAP3K12 (0.65) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL15602613 0.90 MAP3K12 (0.58) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL16568686 0.90 MAP3K12 (0.58) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL19910124 0.89 MAP3K12 (0.68) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL15602526 0.89 MAP3K12 (0.68) MAP3K12DLK1DRG1MAP3K13MAPK8
Hydrochloric Acid SCHEMBL16568353 0.89 MAP3K12 (0.57) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL16573753 0.89 MAP3K12 (0.77) MAP3K12DLK1DRG1MAP3K13MAPK8
SCHEMBL15602436 0.89 MAP3K12 (0.77) MAP3K12DLK1DRG1MAP3K13MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 — — US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 — — 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-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF PDXK, PRMT1, DMPK MAP3K12 367/4885DLK1 24/4885DRG1 609/4885

“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.

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