SCHEMBL5923153

SCHEMBL5923153

COc1cc(C)nc(NC(=N)Nc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ MAPT P10636 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43

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
SCHEMBL5923099 0.93 MITF (0.47) HTTMAPTCYP1A2SMN1; SMN2TSHR
SCHEMBL5923234 0.91 SMN1; SMN2 (0.48) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5923055 0.91 RAB9A (0.49) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5923220 0.86 MAPK1 (0.54) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5923148 0.86 HTT (0.48) HTTMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL5923031 0.83 HTT (0.54) HTTMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5923231 0.83 SMN1; SMN2 (0.50) HTTMAPTCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL5923480 0.81 RAB9A (0.58) HTTMAPTSMN1; SMN2MAPK1MITF
SCHEMBL5923240 0.81 SMN1; SMN2 (0.50) HTTMAPTCYP1A2SMN1; SMN2TSHR
SCHEMBL5923192 0.81 TSHR (0.47) HTTMAPTSMN1; SMN2TSHRALDH1A1

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 1227/4885MAPT 2982/4885CYP1A2 295/4885

“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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