SCHEMBL1614344

SCHEMBL1614344

COCCn1cc(-c2nc(N)ncc2Cl)c2cc(C#CC3(O)CC[C@@H](C)C3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.41
▸ CDK7 P50613 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CCNH P51946 3/20 0.41
▸ MNAT1 P51948 3/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ MAP3K14 Q99558 8/20 0.36
▸ PAK4 O96013 3/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ PAK2 Q13177 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ PAK6 Q9NQU5 1/20 0.36
▸ PAK5 Q9P286 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.34
▸ CHUK O15111 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31

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
SCHEMBL12714670 1.00 CCNT1 (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1826891 1.00 CCNT1 (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614081 0.90 PAK4 (0.45) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614094 0.85 PAK4 (0.43) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL12742580 0.85 CCNT1 (0.42) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614097 0.85 PAK4 (0.44) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL12714662 0.81 CHUK (0.41) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1614037 0.80 MAP3K14 (0.47) DYRK1AMAP3K14PAK4PAK1PAK2
SCHEMBL13575081 0.80 NPC1 (0.38) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL1612885 0.80 DYRK1A (0.48) CCNT1CDK7CDK9CCNHMNAT1

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CCNT1 3862/4885CDK7 851/4885CDK9 769/4885

“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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