SCHEMBL5923331

SCHEMBL5923331

Cc1ccnc(NC(=N)Nc2ccc(Br)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.48
▸ NPC1 O15118 9/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ POLB P06746 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ HIPK1 Q86Z02 1/20 0.41
▸ RIOK2 Q9BVS4 1/20 0.41
▸ SNRK Q9NRH2 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5923330 0.82 RXFP1 (0.46) RAB9ANPC1KMT2ARXFP1TDP1
SCHEMBL5923048 0.78 RXFP1 (0.46) RAB9ANPC1KMT2APOLBRXFP1
SCHEMBL5923367 0.77 ALDH1A1 (0.48) RAB9ANPC1KMT2APOLBRXFP1
SCHEMBL5923186 0.75 RXFP1 (0.49) RAB9ANPC1KMT2ARXFP1MEN1
SCHEMBL5923436 0.70 RXFP1 (0.46) KMT2ARXFP1MEN1KDM4EGLA
SCHEMBL5922980 0.70 RXFP1 (0.46) RAB9ANPC1KMT2ARXFP1SMN1; SMN2
SCHEMBL8341519 0.69 ALDH1A1 (0.62) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL5923310 0.69 RAB9A (0.52) RAB9ANPC1KMT2APOLBTDP1
SCHEMBL5923350 0.69 HTT (0.43) KMT2ARXFP1SMN1; SMN2MEN1KDM4E
SCHEMBL5923267 0.68 SMN1; SMN2 (0.54) RAB9ANPC1KMT2APOLBSMN1; 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 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 410/4885NPC1 82/4885KMT2A 3042/4885

“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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