SCHEMBL5743990

SCHEMBL5743990

Nc1cc(N2CCC(c3ccccc3)CC2)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.53
▸ HRH4 Q9H3N8 8/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.53
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ HTR3A P46098 1/20 0.45
▸ SMPD3 Q9NY59 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ TPO P07202 1/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ CCNT1 O60563 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
Hydrochloric Acid SCHEMBL5743802 0.99 DHFR (0.52) DHFRHRH4HRH3USP2LMNA
SCHEMBL5743624 0.92 SMPD3 (0.53) DHFRHRH4HRH3SMPD3
SCHEMBL5741204 0.86 HRH4 (0.50) DHFRHRH4HRH3LMNAHTT
SCHEMBL5742735 0.86 MAPT (0.64) DHFRHRH4HRH3USP2LMNA
SCHEMBL5740772 0.82 SMN1; SMN2 (0.53) HRH4HRH3LMNAHTTMAPT
SCHEMBL22616984 0.79 HRH3 (0.66) DHFRHRH4HRH3SMPD3KDM6B
SCHEMBL5742926 0.78 MAPT (0.70) DHFRHRH4HRH3USP2LMNA
SCHEMBL5790892 0.78 HRH4 (0.59) DHFRHRH4HRH3MAPTGFER
Hydrochloric Acid SCHEMBL5742940 0.77 MAPT (0.73) DHFRHRH4HRH3USP2LMNA
SCHEMBL9212944 0.74 DHFR (0.45) DHFRHRH4LMNAMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 — — EP claimed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 — — WO claimed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 — — US claimed
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 — — EP disclosed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 — — WO disclosed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 — — 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-20050032810-A1 Novel anthelmintic and insecticidal compositions ACHE, DHX29, DHX35 DHFR 140/4885HRH4 172/4885HRH3 153/4885

“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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