SCHEMBL3757847

SCHEMBL3757847

CCn1c(C(=O)O)cc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.48
CNR2 P34972 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
CCR2 P41597 2/20 0.43
FDPS P14324 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PABPC1 P11940 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 5/20 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
SCHEMBL18969513 0.88 CNR2 (0.45) CNR2MEN1KMT2ACYP1A2KDM4E
SCHEMBL30461843 0.87 PARP1 (0.44) CNR2MEN1KMT2ACYP1A2KDM4E
SCHEMBL18976549 0.84 MTNR1A (0.46) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL30065338 0.84 MTNR1A (0.46) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL18940560 0.83 MEN1 (0.49) CNR2MEN1KMT2ACYP1A2KDM4E
SCHEMBL3005616 0.82 CCR2 (0.62) GPR35CNR2MEN1KMT2ACYP1A2
SCHEMBL2049484 0.82 CNR2 (0.46) CNR2MEN1KMT2ACYP1A2KDM4E
SCHEMBL4395300 0.80 CCR2 (0.52) GPR35CNR2MEN1KMT2ACYP1A2
SCHEMBL298062 0.80 CCR2 (0.52) GPR35CNR2MEN1KMT2ACYP1A2
SCHEMBL18938871 0.80 PTGER4 (0.44) CNR2CCR2NTRK1NTRK3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 CN disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
CN-112574230-A Peptidyl arginine deiminase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-03-30 CN disclosed
EP-3386590-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2018-10-17 EP disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
CN-102099036-A Compounds and methods for treating inflammatory and fibrotic conditions INTERMUNE INC 2011-06-15 CN disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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 (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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR GPR35 3812/4885CNR2 2659/4885MEN1 515/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 GPR35 4383/4885CNR2 4519/4885MEN1 4107/4885

“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.