SCHEMBL407633

SCHEMBL407633

Cc1ccc2n[c]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
ALDH1A1 P00352 3/20 0.47
NCK1 P16333 1/20 0.47
BACE1 P56817 1/20 0.47
CYP2A6 P11509 3/20 0.42
NQO2 P16083 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL411739 0.83 CYP1A2 (0.57) CYP1A2ALDH1A1NCK1BACE1CYP2A6
SCHEMBL28140555 0.76 TYMS (0.35) CYP1A2KDM4ERAB9ALMNA
SCHEMBL7630593 0.75 KDM4E (0.52) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL208188 0.75 F7 (0.38) ALDH1A1BACE1CYP2A6KDM4E
SCHEMBL1552052 0.75 ESR2 (0.44) CYP1A2ALDH1A1MEN1KMT2ATDP1
SCHEMBL208135 0.75 BACE1 (0.47) CYP1A2ALDH1A1BACE1CYP2A6MEN1
SCHEMBL206393 0.75 BACE1 (0.47) CYP1A2ALDH1A1BACE1CYP2A6MEN1
SCHEMBL5748489 0.75 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL315256 0.75 NCF1 (0.51) CYP1A2ALDH1A1CYP2A6NQO2MEN1
SCHEMBL2302785 0.75 SCN10A (0.39) ALDH1A1BACE1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO claimed
EP-2148859-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-02-03 EP claimed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP claimed
WO-2008137805-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-10-18 US claimed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US claimed
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US claimed
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
CN-117616028-A 2, 8-dihydropyrazolo [3,4-B ] indole derivatives for the treatment of cancer 默克专利股份公司 2024-02-27 CN disclosed
EP-0490224-A2 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-4555472-A OPTICAL RECORDING MEDIA CANON KABUSHIKI KAISHA (JP) 1985-11-26 US disclosed
US-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP1A2 4102/4885ALDH1A1 3813/4885NCK1 876/4885
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CYP1A2 1193/4885ALDH1A1 1358/4885NCK1 2989/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 CYP1A2 1193/4885ALDH1A1 1358/4885NCK1 2989/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CYP1A2 3905/4885ALDH1A1 3857/4885NCK1 1187/4885

“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.