SCHEMBL5923663

SCHEMBL5923663

COc1cc(C)nc(NC(=N)NCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ LMNA P02545 4/20 0.42
▸ GLA P06280 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR6 P50406 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
SCHEMBL5923352 0.93 HTT (0.47) HTTSMN1; SMN2MAPTCYP1A2KMT2A
SCHEMBL5923052 0.89 VCP (0.46) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5923240 0.83 SMN1; SMN2 (0.50) HTTSMN1; SMN2TSHRMAPTCYP1A2
SCHEMBL5923652 0.83 HTT (0.48) HTTSMN1; SMN2TSHRMAPTCYP1A2
SCHEMBL5923306 0.81 ALDH1A1 (0.48) HTTSMN1; SMN2TSHRMAPTCYP1A2
SCHEMBL5923585 0.80 AOC3 (0.46) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL5923148 0.79 HTT (0.48) HTTSMN1; SMN2TSHRMAPTKMT2A
SCHEMBL5923520 0.79 NPSR1 (0.42) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL5923119 0.78 HTT (0.48) HTTSMN1; SMN2TSHRMAPTCYP1A2
SCHEMBL5923152 0.76 PHGDH (0.46) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 HTT 1227/4885SMN1; SMN2 1226/4885TSHR 1803/4885

“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.

Send feedback