SCHEMBL21901262

SCHEMBL21901262

CC1(C#Cc2cc3[nH]ncc3cc2Nc2ccc(F)cc2)COC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.42
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2C P28335 8/20 0.36
HTR2A P28223 7/20 0.36
MKNK1 Q9BUB5 4/20 0.36
RPS6KB1 P23443 2/20 0.35
ROCK1 Q13464 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
GRK2 P25098 1/20 0.35
GRK5 P34947 1/20 0.35
SYK P43405 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL22687941 0.91 CDC7 (0.40) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL21901897 0.88 P2RX7 (0.35) CDC7ROCK1GRK2SYK
SCHEMBL21901171 0.79 CDC7 (0.46) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL29370016 0.79 CDC7 (0.46) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL21900969 0.79 CDC7 (0.46) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL21900948 0.78 CDC7 (0.41) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL29536029 0.78 CDC7 (0.41) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL21901264 0.76 AXL (0.43) MKNK1
SCHEMBL21901896 0.76 NOS1 (0.35)
SCHEMBL22655827 0.75 CDC7 (0.39) CDC7KDRNPC1RAB9AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
CN-114096542-B Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2024-09-10 CN disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP disclosed
CN-114096542-A Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2022-02-25 CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 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 (6 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885KDR 4851/4885NPC1 675/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885KDR 4851/4885NPC1 675/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885KDR 4851/4885NPC1 675/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885KDR 4851/4885NPC1 675/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 CDC7 3537/4885KDR 4870/4885NPC1 509/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 CDC7 3537/4885KDR 4870/4885NPC1 509/4885

“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.