SCHEMBL16202020

SCHEMBL16202020

Cc1ncn(-c2ccccc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.47
ADORA3 P0DMS8 1/20 0.41
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL30725595 1.00 ADORA1 (0.47) ADORA1ADORA3NOTUMALDH1A1RAB9A
SCHEMBL16201996 0.81 FLT3 (0.44) ADORA3ALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL21849225 0.79 ADORA1 (0.38) ADORA1ADORA3NOTUMALDH1A1RAB9A
SCHEMBL16202018 0.79 PSEN1 (0.41) ALDH1A1RAB9ANPC1TDP1KMT2A
SCHEMBL12528439 0.78 BCHE (0.40) ADORA3NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL20455919 0.78 GAA (0.46) ADORA1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL30725606 0.78 BCHE (0.40) ADORA3NOTUMALDH1A1SMN1; SMN2LMNA
SCHEMBL21849274 0.77 ADORA1 (0.38) ADORA1ADORA3NOTUMALDH1A1RAB9A
SCHEMBL22052017 0.76 LMNA (0.32) LMNAMAPT
SCHEMBL154207 0.76 TP53 (0.40) KMT2AMAPTHCAR1

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
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 ADORA1 1920/4885ADORA3 3305/4885NOTUM 2417/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ADORA1 2420/4885ADORA3 3035/4885NOTUM 2527/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 ADORA1 2420/4885ADORA3 3035/4885NOTUM 2527/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ADORA1 2110/4885ADORA3 3503/4885NOTUM 3419/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ADORA1 2110/4885ADORA3 3503/4885NOTUM 3419/4885

“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.