SCHEMBL3314901

SCHEMBL3314901

COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3F)C2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.84
ALDH1A1 P00352 6/20 0.84
POLB P06746 1/20 0.84
KMT2A Q03164 8/20 0.64
NPSR1 Q6W5P4 6/20 0.64
MEN1 O00255 6/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PKM P14618 1/20 0.60
GAA P10253 2/20 0.59
XBP1 P17861 1/20 0.59
HPGD P15428 2/20 0.58
ADRB2 P07550 1/20 0.58
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
BRAF P15056 1/20 0.53
CFTR P13569 1/20 0.53

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
SCHEMBL20988947 0.92 KDM4E (1.00) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL3312492 0.89 KDM4E (0.84) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL3313022 0.88 KDM4E (0.86) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL3312894 0.85 PKM (0.66) KDM4EALDH1A1POLBKMT2APKM
SCHEMBL3312063 0.83 KDM4E (0.83) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL3313107 0.83 KMT2A (0.62) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3319431 0.83 KMT2A (0.61) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3312780 0.80 KDM4E (0.56) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL20989169 0.80 KDM4E (0.69) KDM4EALDH1A1POLBKMT2ANPSR1
SCHEMBL14133902 0.79 KDM4E (0.70) KDM4EALDH1A1POLBKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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 (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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS KDM4E 4410/4885ALDH1A1 4716/4885POLB 610/4885
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KDM4E 332/4885ALDH1A1 576/4885POLB 2448/4885

“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.