SCHEMBL501514

SCHEMBL501514

ClCc1cc(Cl)nc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSP90AB1 P08238 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ESR1 P03372 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL31490514 0.89 SMN1; SMN2 (0.40) SMN1; SMN2TDP1KDM4EALDH1A1ALOX15
SCHEMBL6140631 0.80 S1PR2 (0.36) HSP90AB1ALDH1A1ALOX15TSHRPOLB
SCHEMBL14618155 0.80 HSP90AB1 (0.33) HSP90AB1ALDH1A1ALOX15TSHR
SCHEMBL18068190 0.80 HSP90AB1 (0.37) HSP90AB1KDM4EALDH1A1ALOX15TSHR
SCHEMBL1762646 0.80 NOS3 (0.39) SMN1; SMN2HSP90AB1KDM4EALDH1A1ALOX15
SCHEMBL22312575 0.78 SMN1; SMN2 (0.34) SMN1; SMN2TDP1KDM4EALDH1A1ALOX15
SCHEMBL10854619 0.78 SMN1; SMN2 (0.34) SMN1; SMN2TDP1KDM4EALDH1A1ALOX15
SCHEMBL5672114 0.77 NOS3 (0.42) KDM4EALDH1A1POLBHPGDKMT2A
SCHEMBL218052 0.76
Ammonia Solution, Strong SCHEMBL27915759 0.76 ALDH1A1 (0.50) SMN1; SMN2HSP90AB1TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 CN disclosed
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 WO disclosed
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 WO disclosed
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-12-01 US disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
CN-113195441-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2021-07-30 CN disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed
EP-0458109-B1 Side chain chlorination of alkylated pyridine or pyrimidine derivatives BAYER AG (DE) 1994-07-13 EP disclosed
US-5198549-A SIDE-CHAIN CHLORINATION OF ALKYLATED NITROGEN HETEROAROMATICS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-30 US disclosed
EP-0458109-A1 Side chain chlorination of alkylated pyridine or pyrimidine derivatives BAYER AG (DE) 1991-11-27 EP disclosed
EP-0114045-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-09-03 EP disclosed
US-4584295-A Pyrimidylmethyl thiophosphorus esters useful for the control of insects, mites and nematodes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US disclosed
EP-0114045-A1 Pyrimidine derivatives and their use as pesticides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-07-25 EP 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 (4 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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD SMN1; SMN2 894/4885HSP90AB1 4497/4885TDP1 252/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 SMN1; SMN2 4842/4885HSP90AB1 892/4885TDP1 3384/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD SMN1; SMN2 894/4885HSP90AB1 4497/4885TDP1 252/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 SMN1; SMN2 4842/4885HSP90AB1 892/4885TDP1 3384/4885

“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.