SCHEMBL15219331

SCHEMBL15219331

Cc1ccc2[nH]c(C3CCN(C)CC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.55
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
AKR1C3 P42330 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PIN1 Q13526 1/20 0.40
DAO P14920 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14845700 0.87 LOXL2 (0.47) HRH4AKR1C3NPC1RAB9ALOXL2
Bromide SCHEMBL7870782 0.82 HRH4 (0.50) HRH4CCNT1CDK9HRH3
SCHEMBL23010839 0.81 TLR9 (0.47) HRH4CCNT1CDK9AKR1C3RAB9A
SCHEMBL7203954 0.81 HRH4 (0.53) HRH4HRH3
SCHEMBL6647813 0.81 CCNT1 (0.45) HRH4CCNT1CDK9TSHR
SCHEMBL11916126 0.81 HRH4 (0.41) HRH4HRH3
SCHEMBL6647332 0.78 CCNT1 (0.45) HRH4CCNT1CDK9TSHR
SCHEMBL7859810 0.77 MAPK14 (0.42) CCNT1CDK9
SCHEMBL7503773 0.77 HRH4 (0.52) HRH4CCNT1CDK9
SCHEMBL23010592 0.74 NPC1 (0.56) HRH4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021030620-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 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 (5 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HRH4 4473/4885CCNT1 899/4885CDK9 129/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HRH4 3938/4885CCNT1 675/4885CDK9 60/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HRH4 4096/4885CCNT1 756/4885CDK9 59/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HRH4 4473/4885CCNT1 899/4885CDK9 129/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HRH4 4473/4885CCNT1 899/4885CDK9 129/4885

“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.