SCHEMBL4830862

SCHEMBL4830862

NC1=c2ccoc2=NCN1c1ccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.44
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAP2K4 P45985 1/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ EDNRB P24530 1/20 0.37
▸ EDNRA P25101 1/20 0.37
▸ PTPN2 P17706 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL4834398 0.90 MAPT (0.47) PGRMAPTPTPN2PTPN1PTPN5
SCHEMBL4829088 0.87 PGR (0.47) PGRMAPTGAALMNA
SCHEMBL4827007 0.85 MAPT (0.41) NPY5RMAPTCYP3A4PTPN2PTPN1
SCHEMBL4834472 0.85 CYP3A4 (0.47) PGRKDM1ACYP3A4CYP2D6PSEN1
SCHEMBL4829091 0.84 KMT2A (0.44) PGRNPY5RMAPTPTPN2PTPN1
SCHEMBL4833946 0.84 KEAP1 (0.46) PGRNPY5RMAPTLMNA
SCHEMBL4829022 0.83 MAPT (0.49) PGRMAPTCYP3A4EDNRBEDNRA
SCHEMBL4836618 0.83 MEN1 (0.42) MAPTGAALMNA
SCHEMBL4833991 0.82 ALDH1A1 (0.49) PGRPTPN2PTPN1PTPN5HSPD1
SCHEMBL4826056 0.81 ATM (0.40) MAPTCYP3A4GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK PGR 1159/4885KDM1A 674/4885MAOA 2677/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PGR 1480/4885KDM1A 523/4885MAOA 3188/4885

“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.

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