SCHEMBL19358458

SCHEMBL19358458

CC(C)(C)OC(=O)N1Cc2c(N)nn(Cc3ccccc3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
F12 P00748 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.39
MAPK1 P28482 2/20 0.39
PREP P48147 1/20 0.39
ACHE P22303 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
KCNK3 O14649 3/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
EP300 Q09472 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
SCHEMBL19358333 0.88 KDM1A (0.44) HDAC1HDAC6F12STSPREP
SCHEMBL19358417 0.87 HDAC1 (0.43) OPRD1OPRK1HDAC1HDAC6JAK2
SCHEMBL19358464 0.86 KCNK3 (0.51) OPRD1OPRK1KCNK3CREBBP
SCHEMBL18471600 0.82 F12 (0.39) F12MAPK1
SCHEMBL19110574 0.81 P2RX3 (0.46) OPRD1OPRK1HDAC1HDAC6F12
SCHEMBL17328152 0.80 F12 (0.47) HDAC1HDAC6F12PREPKCNK3
SCHEMBL29844201 0.80 KCNK3 (0.57) KCNK3
SCHEMBL17328067 0.78 POLB (0.45) OPRD1OPRK1HDAC1HDAC6F12
SCHEMBL25340650 0.76 F12 (0.40) F12MAPK1POLB
SCHEMBL19358335 0.76 F12 (0.47) F12POLB

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-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2022-04-19 US disclosed
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 US disclosed
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 US disclosed
EP-3430012-B1 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
EP-3430012-A1 4,6 DIHYDROPYRROLO [3,4-C]PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 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 (2 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 OPRD1 1831/4885OPRK1 3579/4885HDAC1 108/4885
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer USP7, USP1, USP3 OPRD1 1831/4885OPRK1 3579/4885HDAC1 108/4885

“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.