SCHEMBL4018230

SCHEMBL4018230

CC(CNC(=N)N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.58
TAAR1 Q96RJ0 4/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
BCAT2 O15382 1/20 0.43
TRPA1 O75762 3/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL17198959 1.00 AOC3 (0.58) AOC3TAAR1NPC1RAB9ABCAT2
Hydrochloric Acid SCHEMBL28129394 0.98 TAAR1 (0.56) AOC3TAAR1NPC1RAB9ABCAT2
Hydrochloric Acid SCHEMBL28129392 0.98 TAAR1 (0.56) AOC3TAAR1NPC1RAB9ABCAT2
SCHEMBL17186316 0.86 AOC3 (0.51) AOC3TAAR1NPC1RAB9ABCAT2
Hydrochloric Acid SCHEMBL17186414 0.85 TAAR1 (0.50) AOC3TAAR1NPC1RAB9ABCAT2
Hydrochloric Acid SCHEMBL30496738 0.84 TAAR1 (0.49) AOC3TAAR1NPC1RAB9ABCAT2
SCHEMBL7423517 0.82 AOC3 (0.55) AOC3TAAR1NPC1RAB9ABCAT2
SCHEMBL2432247 0.81 BCAT2 (0.66) AOC3TAAR1NPC1RAB9ABCAT2
SCHEMBL1605295 0.81 AOC3 (0.58) AOC3TAAR1NPC1RAB9ABCAT2
SCHEMBL1605547 0.81 AOC3 (0.58) AOC3TAAR1NPC1RAB9ABCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 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 (3 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 AOC3 4592/4885TAAR1 4813/4885NPC1 2485/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 AOC3 4592/4885TAAR1 4813/4885NPC1 2485/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 AOC3 4592/4885TAAR1 4813/4885NPC1 2485/4885

“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.