SCHEMBL2570955

SCHEMBL2570955

Clc1cncc(-c2ncco2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
PIN1 Q13526 1/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
HPGDS O60760 1/20 0.35
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
LTA4H P09960 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL12677958 0.78 CCNC (0.38) PIN1CCNCCDK8HPGDSCYP11B2
SCHEMBL982756 0.72 HPGDS (0.39) CCNCCDK8HPGDSLTA4HNPC1
SCHEMBL21820897 0.70 PIN1 (0.36) PIN1HPGDSLTA4H
SCHEMBL5439965 0.68 CDC7 (0.36) PIN1CDK8HPGDSLTA4HPIM1
SCHEMBL20416552 0.68 HSP90AA1 (0.46) CDK8PIM1
SCHEMBL100765 0.67 HPGDS (0.46) PIN1HPGDSLTA4H
SCHEMBL17701242 0.67 HPGDS (0.35) CCNCCDK8HPGDSLTA4H
SCHEMBL3272823 0.67 ALDH1A1 (0.45) NPC1PKMRAB9A
SCHEMBL315001 0.66 HPGDS (0.44) PIN1CCNCCDK8HPGDSLTA4H
SCHEMBL27283678 0.66 HPGDS (0.49) HPGDSLTA4HNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
EP-2951174-B1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma AG (DE) 2017-04-26 EP disclosed
US-20150368260-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-24 US disclosed
EP-2951174-A1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma Aktiengesellschaft (DE) 2015-12-09 EP disclosed
WO-2014118186-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-07 WO disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed
CN-101511796-A Imidazole derivative KYOWA HAKKO KOGYO KK (JP) 2009-08-19 CN 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CDK2 930/4885PIN1 2425/4885CCNC 2847/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CDK2 930/4885PIN1 2425/4885CCNC 2847/4885
US-20150368260-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BUB1B, BUB1, CCNB1 CDK2 20/4885PIN1 391/4885CCNC 23/4885

“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.