SCHEMBL3340580

SCHEMBL3340580

FC(F)(F)c1cc(Cl)c2nccn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM5 P41594 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
MERTK Q12866 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
SCHEMBL24068101 0.87 L3MBTL1 (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL25730226 0.84 L3MBTL1 (0.37) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL24529400 0.84 NPC1 (0.36) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15828609 0.83 TNKS (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL30256773 0.81 GRM5 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL22490650 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ANUDT1
SCHEMBL15896757 0.74 GRM5 (0.42) NFKB1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL24529246 0.73 L3MBTL1 (0.33) L3MBTL1
SCHEMBL27181579 0.73 MAOB (0.37) L3MBTL1
SCHEMBL25310547 0.73 NUDT1 (0.45) CYP3A4ALDH1A1L3MBTL1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667257-B Compounds for inhibiting CDK7 伊莱利利公司 2024-06-11 CN disclosed
US-20230203031-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2023-06-29 US disclosed
EP-4157840-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 Eli Lilly and Company (US) 2023-04-05 EP disclosed
CN-115667257-A Compounds for inhibiting CDK7 伊莱利利公司 2023-01-31 CN disclosed
CN-108276352-B Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2022-09-20 CN disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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 (2 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-20230203031-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 CDK7, CDK3, CCNH SMN1; SMN2 2349/4885NPC1 3062/4885RAB9A 1871/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 SMN1; SMN2 2046/4885NPC1 241/4885RAB9A 2844/4885

“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.