SCHEMBL23199045

SCHEMBL23199045

Cc1nccc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.52
PIM1 P11309 2/20 0.52
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 1/20 0.50
TACR1 P25103 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
BCAT2 O15382 2/20 0.44
CDC7 O00311 3/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
IKBKE Q14164 1/20 0.39
PKMYT1 Q99640 1/20 0.39
CHEK2 O96017 1/20 0.39
CCNC P24863 1/20 0.39

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
Acetic Acid SCHEMBL27846617 0.97 NTRK1 (0.50) NTRK1PIM1MKNK1MKNK2TACR1
SCHEMBL31119750 0.87 CCNC (0.53) NTRK1PIM1MKNK1MKNK2CDC7
SCHEMBL5532390 0.86 TACR1 (0.51) NTRK1PIM1MKNK1MKNK2TACR1
SCHEMBL27893425 0.86 CYP3A4 (0.51) NTRK1PIM1MKNK1MKNK2IKBKB
SCHEMBL20767113 0.84 MKNK1 (0.51) NTRK1PIM1MKNK1MKNK2TACR1
SCHEMBL27473965 0.83 MKNK1 (0.46) NTRK1PIM1MKNK1MKNK2KMT2A
SCHEMBL14917462 0.81 MKNK1 (0.49) NTRK1PIM1MKNK1MKNK2KMT2A
SCHEMBL5838649 0.81 MKNK2 (0.44) NTRK1PIM1MKNK1MKNK2KMT2A
SCHEMBL28143127 0.80 CDC7 (0.46) NTRK1PIM1MKNK1KMT2AMEN1
SCHEMBL25275838 0.80 BCAT2 (0.44) NTRK1PIM1MKNK1MKNK2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN claimed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN claimed
CN-101801932-A Substituted nicotinamide compounds and the use thereof in pharmaceutical products GRUENENTHAL GMBH 2010-08-11 CN claimed
EP-3801507-B1 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH ZUERICH (CH) 2025-01-01 EP disclosed
EP-3943085-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2022-01-26 EP disclosed
US-20210186947-A1 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH ZURICH (CH) 2021-06-24 US disclosed
EP-3801507-A2 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION ETH Zurich (CH) 2021-04-14 EP disclosed
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
CN-101801932-A Substituted nicotinamide compounds and the use thereof in pharmaceutical products GRUENENTHAL GMBH 2010-08-11 CN 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-20210186947-A1 TOMM6-INTERACTING EXTRACTS AND COMPOUNDS FOR USE IN THE TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISEASES, ATHEROSCLEROSIS, HEPATITIS B INFECTION AND HUMAN PAPILLOMA VIRUS (HPV) INFECTION TOMM70, TOMM34, TIMM50 NTRK1 3365/4885PIM1 3915/4885MKNK1 2280/4885

“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.