Sugi Predict

Sugi Predict / Compounds / SCHEMBL6717307

SCHEMBL6717307

SCHEMBL6717307

O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(CN3CCOCC3)nc2c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KCNH2 Q12809 5/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ MERTK Q12866 1/20 0.46
▸ GAS6 Q14393 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ POLA1 P09884 2/20 0.44
▸ MLLT1 Q03111 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL6716949 0.87 RXFP1 (0.49) RXFP1KCNH2FLT3TYRO3MERTK
SCHEMBL6669690 0.82 KCNH2 (0.50) RXFP1KCNH2FLT3TYRO3MERTK
SCHEMBL6201283 0.81 KCNH2 (0.54) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6286720 0.79 KCNH2 (0.60) RXFP1KCNH2ALDH1A1POLA1
SCHEMBL6202555 0.79 RXFP1 (0.49) RXFP1KCNH2EGLN1ALDH1A1POLA1
SCHEMBL6665763 0.78 KCNH2 (0.54) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6713871 0.77 EGLN1 (0.56) EGLN1ALDH1A1POLA1NPC1RAB9A
SCHEMBL6200011 0.77 KCNH2 (0.53) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6770778 0.77 KCNH2 (0.53) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6726994 0.77 KCNH2 (0.55) RXFP1KCNH2ALDH1A1POLA1MLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 — — US claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 — — US claimed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 — — US claimed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 — — US claimed
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 — — US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 — — US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 — — US disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 — — 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 (3 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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 RXFP1 47/4885KCNH2 4095/4885FLT3 1999/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885FLT3 604/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885FLT3 604/4885

“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.