Sugi Predict

Sugi Predict / Compounds / SCHEMBL6701919

SCHEMBL6701919

SCHEMBL6701919

Cc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DCTPP1 Q9H773 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL6697673 0.92 MAPT (0.47) MAPTATMLMNADCTPP1ALDH1A1
SCHEMBL6696475 0.91 CRHR1 (0.39) MAPTATMLMNASMN1; SMN2MAPK1
SCHEMBL6697320 0.84 MAPT (0.40) MAPTATMSMN1; SMN2MAPK1TDP1
SCHEMBL6694037 0.83 NPC1 (0.49) MAPTATMMAPK1TDP1L3MBTL1
SCHEMBL6693069 0.81 MAPT (0.45) MAPTATMLMNAALDH1A1CYP1A2
SCHEMBL6697467 0.77 MAPT (0.40) MAPTATMLMNAALDH1A1KDM4E
SCHEMBL6696084 0.77 LMNA (0.49) MAPTATMLMNADCTPP1ALDH1A1
SCHEMBL6694814 0.76 CYP1A2 (0.38) MAPTATMLMNAALDH1A1KDM4E
SCHEMBL6696477 0.75 LMNA (0.41) MAPTATMLMNASMN1; SMN2KDM4E
SCHEMBL6692301 0.75 MAPT (0.51) MAPTLMNASMN1; SMN2MAPK1L3MBTL1

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-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 — — US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 — — US disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 — — EP disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 — — US disclosed
US-20010018436-A1 Pyrimidine derivatives TULARIK INC. 2001-08-30 — — US disclosed
US-6200977-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2001-03-13 — — US disclosed
EP-1056742-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK, INC. (US) 2000-12-06 — — EP disclosed
WO-1999041253-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC. (US) 1999-08-19 — — 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 (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-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885LMNA 4485/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS MAPT 1762/4885ATM 2349/4885LMNA 4485/4885

“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.