SCHEMBL2643318

SCHEMBL2643318

CCC(=O)Nc1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MAPT P10636 3/20 0.61
GAA P10253 3/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
RAB9A P51151 6/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
CYP3A4 P08684 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53

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
SCHEMBL5962552 0.91 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL2286201 0.89 CA12 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL2286199 0.89 CA12 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL13989319 0.89 GAA (0.73) CA12CA1CA2CA9MAPT
SCHEMBL1709756 0.84 TP53 (0.72) CA12CA1CA2CA9MAPT
SCHEMBL15197080 0.83 MAPT (0.64) CA12CA1CA2CA9MAPT
SCHEMBL8751494 0.82 CA1 (0.64) CA1CA2MAPTSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL8531055 0.82 CA12 (0.61) CA12CA1CA2CA9MAPT
SCHEMBL11193707 0.81 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL10360235 0.81 CA1 (0.67) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198796-B1 MONOAZO DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-12-05 EP claimed
US-4866164-A MONOAZO DYES FOR NATURAL AND SYNTHETIC POLYAMIDES; LIGHTFASTNESS, WETFASTNESS CIBA-GEIGY CORPORATION (US) 1989-09-12 US claimed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 CN claimed
EP-0198796-A2 Monoazo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-10-22 EP claimed
US-4487610-A Cold water soluble anthraquinone dyestuff composition CIBA-GEIGY CORPORATION (US) 1984-12-11 US claimed
CN-113527133-B Amine antioxidant and preparation method and application thereof 中国石油天然气股份有限公司 2023-09-26 CN disclosed
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed
CN-108530444-B Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof 药康众拓(江苏)医药科技有限公司 2021-08-24 CN disclosed
CN-107635553-B Pyrimidine derivatives as kinase inhibitors and their therapeutic use 常山凯捷健生物药物研发(河北)有限公司 2020-08-14 CN disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
CN-108530444-A A kind of novel NAMPT and IDO double inhibitors and preparation method thereof and medical usage 中国药科大学 2018-09-14 CN disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4132799-A TRANQUILIZERS, ANTICONVULSANTS MERCK & CO., INC. (US) 1979-01-02 US disclosed
US-4091025-A AMINATION, NITRATION, SAPONIFICATION CIBA-GEIGY AG (CH) 1978-05-23 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed
US-4061763-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4006233-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-02-01 US disclosed
US-3992421-A ANTHRAQUINONE DYESTUFFS FOR BLUE DYEINGS OF POLYESTERS AMERICAN COLOR & CHEMICAL CORPORATION (US) 1976-11-16 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (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-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK CA12 4879/4885CA1 4871/4885CA2 4405/4885

“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.