SCHEMBL6201491

SCHEMBL6201491

O=C(c1cccnc1)C(Cc1ccc(Cl)cc1)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GPR132 Q9UNW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL6202063 0.84 MDM2 (0.46) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6203529 0.82 TSHR (0.52) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27628024 0.81 TSHR (0.46) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6201649 0.81 ALDH1A1 (0.43) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27608908 0.80 TSHR (0.49) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6204076 0.80 TSHR (0.49) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6203245 0.79 PSMB5 (0.44) ALDH1A1GPR132KDM4EHPGD
SCHEMBL6201072 0.77 TSHR (0.48) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6202785 0.74 NPC1 (0.46) TSHRMAPTCYP2C9CYP2C19CYP3A4
SCHEMBL6201493 0.73 LMNA (0.46) TSHRMAPTCYP2C9CYP2C19SMN1; SMN2

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-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US claimed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN claimed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO claimed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 TSHR 1247/4885MAPT 3817/4885CYP1A2 1122/4885

“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.