SCHEMBL5923310

SCHEMBL5923310

Cc1ccnc(NC(=N)Nc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ PHGDH O43175 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL5923619 0.84 KMT2A (0.54) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923264 0.84 CYP1A2 (0.52) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923418 0.82 SMN1; SMN2 (0.53) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923375 0.80 CYP1A2 (0.51) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4979855 0.80 MGLL (0.66) POLBKDM4EMGLLCNR1
SCHEMBL5923184 0.78 GRM5 (0.58) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923267 0.78 SMN1; SMN2 (0.54) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923347 0.77 KMT2A (0.62) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5923163 0.74 RAB9A (0.52) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13302660 0.73 NPSR1 (0.57) KMT2AMEN1SMN1; SMN2TP53ALDH1A1

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 RAB9A 410/4885KMT2A 3042/4885MEN1 4111/4885

“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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