SCHEMBL4476048

SCHEMBL4476048

Cc1nc(N2CCNCC2)nc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
UBE2N P61088 2/20 0.43
APAF1 O14727 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
CTSB P07858 5/20 0.39
CTSK P43235 5/20 0.39
CTSL P07711 4/20 0.39
CTSS P25774 4/20 0.39
CASP1 P29466 1/20 0.38

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
SCHEMBL11820126 0.76 KDM4E (0.51) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL11824205 0.74 ALDH1A1 (0.43) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL18154763 0.73 SMN1; SMN2 (0.59) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL9488077 0.73 HRH1 (0.59) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL18154725 0.72 ALDH1A1 (0.45) HRH1ALDH1A1KDM4EHPGDPOLB
Hydrochloric Acid SCHEMBL8582704 0.71 HRH1 (0.57) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL16689298 0.69 CFD (0.61) ALDH1A1KDM4EHPGDPOLBUBE2N
SCHEMBL6664557 0.68 HRH1 (0.44) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL31518455 0.68 KMT2A (0.60) HRH1ALDH1A1KDM4EHPGDPOLB
SCHEMBL1229731 0.68 HRH1 (0.85) HRH1ALDH1A1KDM4EHPGDPOLB

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-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
CN-1809576-A Antiparasitic terpene alkaloids PFIZER (US) 2006-07-26 CN disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 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 (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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 HRH1 384/4885ALDH1A1 441/4885KDM4E 752/4885

“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.