SCHEMBL21634627

SCHEMBL21634627

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@@H]4CCCNC4)n3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.60
▸ CCNT1 O60563 1/20 0.60
▸ CCNK O75909 1/20 0.60
▸ CCNE1 P24864 1/20 0.60
▸ CDK9 P50750 1/20 0.60
▸ CDK12 Q9NYV4 1/20 0.60
▸ GSK3A P49840 9/20 0.59
▸ GSK3B P49841 9/20 0.59
▸ FLT3 P36888 9/20 0.58
▸ PIK3CG P48736 7/20 0.58
▸ JAK2 O60674 6/20 0.58
▸ SRC P12931 6/20 0.58
▸ PLK1 P53350 5/20 0.58
▸ PRKACA P17612 5/20 0.58
▸ ROCK2 O75116 4/20 0.58
▸ KDR P35968 4/20 0.58
▸ ROCK1 Q13464 4/20 0.58
▸ PIK3CD O00329 4/20 0.58
▸ PIK3CA P42336 3/20 0.58
▸ IRAK4 Q9NWZ3 2/20 0.58

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
SCHEMBL21657643 1.00 CDK2 (0.60) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL21634630 1.00 CDK2 (0.60) CDK2CCNT1CCNKCCNE1CDK9
Hydrochloric Acid SCHEMBL21634774 0.99 CDK2 (0.59) CDK2CCNT1CCNKCCNE1CDK9
Hydrochloric Acid SCHEMBL30771523 0.99 CDK2 (0.59) CDK2CCNT1CCNKCCNE1CDK9
Hydrochloric Acid SCHEMBL21634926 0.99 CDK2 (0.59) CDK2CCNT1CCNKCCNE1CDK9
Hydrochloric Acid SCHEMBL21634624 0.99 CDK2 (0.59) CDK2CCNT1CCNKCCNE1CDK9
Hydrochloric Acid SCHEMBL30771514 0.99 CDK2 (0.59) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL8942647 0.90 CCNT1 (0.51) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10303908 0.90 CCNT1 (0.51) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10008195 0.90 CCNT1 (0.51) CDK2CCNT1CCNKCCNE1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829719-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2021-06-09 — — EP disclosed
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2021-04-29 — — US disclosed
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2021-04-29 — — US disclosed
WO-2020023813-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-01-30 — — WO disclosed
WO-2020023813-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-01-30 — — 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-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION PIR, PNPO, IDO1 CDK2 8/4885CCNT1 122/4885CCNK 227/4885

“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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