SCHEMBL15769154

SCHEMBL15769154

COc1cnc(Nc2ccc(C)c(C#N)c2)nc1N(C)[C@H]1CCCN2CCCC[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.41
KDR P35968 1/20 0.41
NUAK1 O60285 3/20 0.39
CDK4 P11802 7/20 0.38
CCND1 P24385 7/20 0.38
PKMYT1 Q99640 1/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
PLK1 P53350 1/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.36
CCNB1 P14635 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
PIK3CD O00329 1/20 0.36
PRKAB2 O43741 1/20 0.36
CCNT1 O60563 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL15770097 0.91 JAK3 (0.45) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769548 0.91 CDK1 (0.40) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769905 0.90 CDK1 (0.40) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769772 0.88 GRM5 (0.39) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15770094 0.88 JAK3 (0.38) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769401 0.88 JAK2 (0.38) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769749 0.87 JAK3 (0.48) LCKJAK3LRRK2PTK2
SCHEMBL15770252 0.86 ABCG2 (0.43) CDK1KDRCDK4CCND1EGFR
SCHEMBL15769468 0.83 JAK3 (0.45) CDK1KDRNUAK1CDK4CCND1
SCHEMBL15769429 0.82 JAK3 (0.45) CDK1KDRNUAK1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP claimed
US-9062068-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US claimed
US-20140163022-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2014-06-12 US claimed
EP-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-9913843-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20150306100-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2015-10-29 US disclosed
US-9062068-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140163022-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2014-06-12 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 (2 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-20140163022-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB CDK1 389/4885KDR 3101/4885NUAK1 776/4885
US-20150306100-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB CDK1 389/4885KDR 3101/4885NUAK1 776/4885

“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.