SCHEMBL23645191

SCHEMBL23645191

O=C1CCCC2(CCCc3ccc(F)cc32)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AKR1B1 P15121 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SRD5A1 P18405 1/20 0.34
CHRNA7 P36544 1/20 0.33
PIN1 Q13526 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC4 P56524 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL30291257 1.00 KDM1A (0.49) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL23644282 0.78 SIGMAR1 (0.49) KDM1AAKR1B1CYP3A4KMT2ACYP1A2
SCHEMBL30291290 0.78 SIGMAR1 (0.49) KDM1AAKR1B1CYP3A4KMT2ACYP1A2
SCHEMBL23645422 0.76 ADRA2A (0.38) KDM1AAKR1B1PARP1PARP10CYP3A4
SCHEMBL23645291 0.75 KDM1A (0.39) KDM1AAKR1B1PARP1PARP10MAPT
SCHEMBL29656307 0.73 SIGMAR1 (0.44) AKR1B1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL23360852 0.73 SIGMAR1 (0.44) AKR1B1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL23645300 0.73 PSEN1 (0.46) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL3699642 0.72 KDM1A (0.57) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL31277604 0.72 KDM1A (0.57) KDM1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
US-9553272-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-01-24 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-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS KDM1A 3827/4885PSEN1 4076/4885PSEN2 4100/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS KDM1A 3827/4885PSEN1 4076/4885PSEN2 4100/4885

“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.