SCHEMBL20023741

SCHEMBL20023741

Cc1ccn2cc([C@@H](C)N)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 11/20 0.48
RAB9A P51151 11/20 0.48
NPC1 O15118 10/20 0.48
ALDH1A1 P00352 7/20 0.47
POLB P06746 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 3/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 4/20 0.40
SUV39H2 Q9H5I1 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
SCHEMBL10022340 0.86 SMN1; SMN2 (0.54) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL12832006 0.81 SMN1; SMN2 (0.53) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL26611347 0.78 KDM4E (0.56) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL18793697 0.76 RAB9A (0.46) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL434154 0.74 SMN1; SMN2 (0.61) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL26612297 0.74 KDM4E (0.62) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL26699228 0.73 KDM4E (0.54) SMN1; SMN2TP53KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL6544490 0.73 SMN1; SMN2 (0.59) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL18569907 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4ERAB9ANPC1
SCHEMBL8811617 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4ERAB9ANPC1

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
CN-109996546-B P2X 3 And/or P2X 2/3 Compounds and methods 阿沙纳生物科学公司 2023-06-27 CN claimed
US-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2018-04-05 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-20180093991-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 SMN1; SMN2 487/4885TP53 2907/4885KDM4E 2710/4885

“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.