SCHEMBL10312397

SCHEMBL10312397

CCCCNCCNCC

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.88
CYP2C19 P33261 2/20 0.71
MEN1 O00255 1/20 0.71
GLA P06280 1/20 0.71
KMT2A Q03164 1/20 0.71
CYP1A2 P05177 1/20 0.67
ALDH1A1 P00352 1/20 0.61
KDM1A O60341 5/20 0.52
SAT1 P21673 3/20 0.50
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
TP53 P04637 1/20 0.41
CASP2 P42575 1/20 0.38
S1PR2 O95136 4/20 0.38
S1PR4 O95977 4/20 0.38
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL29589467 1.00 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL11106382 0.97 TSHR (0.93) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL31758396 0.94 TSHR (0.78) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL4166725 0.94 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL10045106 0.94 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL20922334 0.94 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL13895399 0.94 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL5847137 0.94 TSHR (0.88) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL36957 0.94
SCHEMBL21132324 0.91 TSHR (0.82) TSHRCYP2C19MEN1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
CN-109906215-B Continuous production of 2-methylene alkanals OQ化学有限责任公司 2022-05-06 CN disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
CN-107068680-B Integrated circuit device 三星电子株式会社 2020-10-23 CN disclosed
EP-3268008-B1 COMPOUNDS THAT ARE ANALOGS OF SQUALAMINE, USED AS ANTIBACTERIAL AGENTS VIRBAC (FR) 2020-02-12 EP disclosed
EP-3351540-A1 CYCLOHEXANE DERIVATIVE OR STEREOISOMER OR SALT THEREOF, AND PREPARATION AND USE THEREOF Zhejiang Jingxin Pharmaceutical Co., Ltd. (CN) 2018-07-25 EP disclosed
WO-2018015196-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2018-01-25 WO disclosed
EP-2499277-B1 METAL INK COMPOSITIONS, CONDUCTIVE PATTERNS, METHODS, AND DEVICES UNIV CARNEGIE MELLON (US) 2017-09-27 EP disclosed
US-8481243-B2 Resin and photoresist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-09 US disclosed
US-20120178021-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-12 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-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF MDM2, CUL1, PSMG3 TSHR 3432/4885CYP2C19 3642/4885MEN1 2643/4885
US-20120178021-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME SULT1A1, SULT1E1, C1S TSHR 3515/4885CYP2C19 707/4885MEN1 1821/4885

“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.