SCHEMBL22655893

SCHEMBL22655893

Fc1ccc(Nc2cc3cn[nH]c3cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.53
▸ KDR P35968 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.46
▸ HTR2C P28335 4/20 0.46
▸ HTR2A P28223 4/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAOB P27338 3/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ NOS1 P29475 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31085390 1.00 CDC7 (0.53) CDC7KDRNPC1RAB9AMKNK1
SCHEMBL30176980 0.83 CDC7 (0.53) CDC7KDRNPC1RAB9AMKNK1
SCHEMBL21856670 0.83 CDC7 (0.53) CDC7KDRNPC1RAB9AMKNK1
SCHEMBL22655800 0.82 MKNK1 (0.42) CDC7KDRMKNK1TRPA1TRPM8
SCHEMBL29536476 0.82 MKNK1 (0.42) CDC7KDRMKNK1TRPA1TRPM8
SCHEMBL21856798 0.80 CDC7 (0.53) CDC7KDRNPC1RAB9AMKNK1
SCHEMBL21901031 0.79 CDC7 (0.46) CDC7KDRNPC1RAB9AHTR2C
SCHEMBL31085393 0.77 CSNK2A1 (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL22655814 0.77 CSNK2A1 (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL21900969 0.75 CDC7 (0.46) CDC7KDRNPC1RAB9AMKNK1

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 9 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
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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

“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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