SCHEMBL1775125

SCHEMBL1775125

Cc1c(NCC(C)C)ncnc1N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.47
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL1773880 0.81 HRH4 (0.43) HRH4MEN1KMT2AHTTNSD2
SCHEMBL17622705 0.76 KDM1A (0.44) HRH4MEN1KMT2APOLBHTT
SCHEMBL17622695 0.72 HRH4 (0.51) HRH4MEN1KMT2AHTTNSD2
SCHEMBL1774691 0.70 HRH4 (0.67) HRH4HRH3
SCHEMBL30353168 0.69 HRH4 (0.40) HRH4MEN1KMT2AHTTNSD2
SCHEMBL17623420 0.64 PIK3CA (0.40) HRH4MEN1KMT2AHTTALDH1A1
SCHEMBL1588146 0.64 HRH4 (1.00) HRH4MEN1KMT2A
SCHEMBL1587961 0.64 HRH4 (1.00) HRH4HRH3
Hydrochloric Acid SCHEMBL1587995 0.63 HRH4 (0.97) HRH4MEN1KMT2A
SCHEMBL17623259 0.62 TP53 (0.42) MEN1KMT2AHTTALDH1A1CYP1A2

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
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 — — EP disclosed
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 — — EP disclosed
CN-101341134-B Pyrimidine derivatives PFIZER LTD 2013-05-01 — — CN disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 — — US disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 — — US disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 — — US disclosed
CN-101341134-A Pyrimidine derivatives PFIZER LTD (GB) 2009-01-07 — — CN disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 — — US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 — — US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 — — 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 (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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885MEN1 3513/4885KMT2A 2060/4885

“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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