SCHEMBL16123647

SCHEMBL16123647

N#Cc1ccc(C(N)C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.44
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
OPRD1 P41143 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
Hydrochloric Acid SCHEMBL16099100 0.98 CYP19A1 (0.42) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL10621333 0.82 CYP19A1 (0.41) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL4694912 0.80 CYP19A1 (0.47) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL17421931 0.80 CYP19A1 (0.47) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL18724715 0.80 CYP19A1 (0.47) CYP19A1CYP2A6LOXL2CA2ALDH1A1
Hydrochloric Acid SCHEMBL30098314 0.78 CYP19A1 (0.45) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL1759825 0.76 ESR1 (0.33)
SCHEMBL393215 0.76 ADRB2 (0.50) CYP19A1CYP2A6ALDH1A1TSHR
SCHEMBL319930 0.76 ADRB2 (0.50) CYP19A1CYP2A6LOXL2CA2ALDH1A1
SCHEMBL15947836 0.76 CYP19A1 (0.44) CYP19A1CYP2A6LOXL2CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-07-18 US disclosed
EP-2970131-B1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME INC (US) 2017-11-15 EP disclosed
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-30 US disclosed
US-9365527-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-04 US disclosed
US-20140315961-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-23 US disclosed
WO-2014153100-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO 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 (4 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-20140315961-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1076/4885CYP2A6 2228/4885LOXL2 3582/4885
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1076/4885CYP2A6 2228/4885LOXL2 3582/4885
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1076/4885CYP2A6 2228/4885LOXL2 3582/4885
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1076/4885CYP2A6 2228/4885LOXL2 3582/4885

“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.