SCHEMBL7048523

SCHEMBL7048523

Cc1ccc2nc(N)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 1.00
▸ NCK1 P16333 1/20 1.00
▸ CYP1A2 P05177 3/20 0.63
▸ PLAU P00749 1/20 0.63
▸ NCF1 P14598 4/20 0.58
▸ CTSD P07339 1/20 0.54
▸ CYP2A6 P11509 2/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7049649 0.84 BACE1 (0.73) BACE1NCK1CYP1A2PLAUNCF1
Morpholine SCHEMBL27949689 0.82 BACE1 (0.68) BACE1NCK1CYP1A2PLAUNCF1
SCHEMBL1133953 0.78 NCK1 (0.64) BACE1NCK1CYP1A2CYP2A6KDM4E
SCHEMBL5478956 0.77 BACE1 (0.62) BACE1NCK1PLAUNCF1CTSD
SCHEMBL30503638 0.77 PLAU (1.00) BACE1NCK1PLAUNCF1NOS2
SCHEMBL3412309 0.77 PLAU (1.00) BACE1NCK1PLAUNCF1NOS2
SCHEMBL23247265 0.77 CYP1A2 (0.68) BACE1NCK1CYP1A2CYP2A6KDM4E
SCHEMBL29444268 0.77 CYP1A2 (1.00) BACE1NCK1CYP1A2CYP2A6KDM4E
SCHEMBL161703 0.77 CYP1A2 (1.00) BACE1NCK1CYP1A2CYP2A6KDM4E
SCHEMBL11702937 0.76 LMNA (0.67) BACE1NCK1CYP1A2PLAUCYP2A6

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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 — — WO claimed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 — — WO claimed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 — — EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 — — EP disclosed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 — — WO disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 — — EP disclosed
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 — — EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 — — EP disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 — — EP disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — WO disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 — — WO disclosed
WO-2004037176-A2 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 — — WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 — — WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 — — WO disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 — — 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-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 BACE1 82/4885NCK1 4821/4885CYP1A2 1188/4885

“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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