SCHEMBL4526072

SCHEMBL4526072

Cc1nc(N)nc(N)c1-c1ccccc1I

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.64
HEXA P06865 2/20 0.46
HEXB P07686 2/20 0.46
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NUDT1 P36639 1/20 0.41
HSD17B10 Q99714 1/20 0.41
REN P00797 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
DCPS Q96C86 1/20 0.35

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
SCHEMBL6049555 0.79 DHFR (0.64) DHFRHEXAHEXBALDH1A1HPGD
SCHEMBL6049517 0.78 DHFR (1.00) DHFRHEXAHEXBALDH1A1CYP1A2
SCHEMBL3500167 0.74 DHFR (0.61) DHFRHEXAHEXBALDH1A1CYP1A2
SCHEMBL6049565 0.73 DHFR (0.60) DHFRNUDT1
SCHEMBL4526810 0.71 HEXA (0.47) DHFRHEXAHEXBALDH1A1CYP1A2
SCHEMBL6049638 0.71 DHFR (0.47) DHFRHEXAHEXBALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4537159 0.70 HEXA (0.46) DHFRHEXAHEXBALDH1A1CYP1A2
SCHEMBL9566516 0.70 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL4532657 0.69 HEXA (0.48) DHFRHEXAHEXBCYP1A2
SCHEMBL24625660 0.69 MYC (0.48) ALDH1A1CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B DHFR 1058/4885HEXA 748/4885HEXB 352/4885

“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.