SCHEMBL22833705

SCHEMBL22833705

Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
ABL1 P00519 2/20 0.55
BACE1 P56817 1/20 0.52
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
PIK3CB P42338 1/20 0.39
TDO2 P48775 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AXL P30530 1/20 0.36
GFER P55789 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL29874643 1.00 PDPK1 (0.57) PDPK1ABL1BACE1CASP3SENP8
Hydrochloric Acid SCHEMBL30636276 0.98 PDPK1 (0.55) PDPK1ABL1BACE1CASP3SENP8
SCHEMBL559391 0.92 ABL1 (0.64) PDPK1ABL1BACE1CASP3SENP8
SCHEMBL14627579 0.78 PDPK1 (0.61) PDPK1ABL1MAPTPIK3CBTDP1
SCHEMBL4765233 0.77 PDPK1 (0.64) PDPK1ABL1PIK3CBNOS3NOS1
SCHEMBL1825846 0.76 PDPK1 (0.52) PDPK1ABL1MAPTPIK3CBTDO2
SCHEMBL2320872 0.75 CYP1A2 (0.57) ABL1BACE1CASP3SENP8SENP7
SCHEMBL557850 0.75 PDPK1 (0.57) PDPK1ABL1BACE1CYP1A2CYP2A6
SCHEMBL2748404 0.75 CASP3 (0.50) ABL1BACE1CASP3SENP8SENP7
SCHEMBL8159874 0.75 CASP3 (0.50) ABL1BACE1CASP3SENP8SENP7

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-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 US disclosed
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-09-19 US disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 US disclosed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20220324811-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2022-10-13 US disclosed
WO-2022201097-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-09-29 WO disclosed
WO-2022188792-A1 HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-15 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 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 (5 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 PDPK1 1212/4885ABL1 4534/4885BACE1 1303/4885
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 PDPK1 1212/4885ABL1 4534/4885BACE1 1303/4885
US-20220324811-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 PDPK1 1212/4885ABL1 4534/4885BACE1 1303/4885
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 PDPK1 1212/4885ABL1 4534/4885BACE1 1303/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK PDPK1 4134/4885ABL1 2/4885BACE1 1958/4885

“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.